Coupling between cation and anion disorder in β-K₂Ca₃(CO₃)₄

Since the development of anionic group theory, the spatial arrangement of anionic groups in optical crystals has been believed to determine their functional, such as nonlinear optical, properties. At the same time, cation substitution, resulting in either the appearance of disordered cation sites in a crystal structure or the emergence of cation-ordered superstructures, has been widely used to control material properties. This work demonstrates the coupling between positional cation disorder and orientational disorder of (CO₃)²⁻ anions in the β modification of the recently described K₂Ca₃(CO₃)₄ material. In contrast to the α modification [P2₁2₁2₁, a = 7.39134 (18), b = 8.8153 (2), c = 16.4803 (4) Å], where the ordered cation sublattice favors the non-centrosymmetric orientationally ordered arrangement of (CO₃)²⁻ anionic groups, positional cation disorder in β-K₂Ca₃(CO₃)₄ [Pnma, a = 7.5371 (2), b = 16.1777 (5), c = 8.7793 (3) Å] within the cation sublattice of the same topology leads to orientational disorder of (CO₃)²⁻ groups and the appearance of an inversion center in the average structure.

Computing details

(I)

Crystal data

C4Ca3K2O12	F(000) = 872
Mr = 438.5	Dx = 2.721 Mg m^−3
Orthorhombic, Pnma	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P -2xabc;-2yb;-2zac	Cell parameters from 10037 reflections
a = 7.5371 (2) Å	θ = 2.5–24.9°
b = 16.1777 (5) Å	µ = 2.39 mm^−1
c = 8.7793 (3) Å	T = 293 K
V = 1070.49 (6) Å^3	Plate
Z = 4	0.10 × 0.08 × 0.05 mm

Data collection

Esperanto-CrysAlisPro-abstract goniometer imported esperanto images diffractometer	980 independent reflections
Radiation source: X-ray tube	627 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.071
ω scans	θmax = 25.0°, θmin = 2.5°
Absorption correction: multi-scan CrysAlisPro 1.171.41.116a (Rigaku Oxford Diffraction, 2021) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	h = −8→8
Tmin = 0.952, Tmax = 1	k = −19→19
25997 measured reflections	l = −10→10

Refinement

Refinement on F^2	0 restraints
R[F^2 > 2σ(F^2)] = 0.052	2 constraints
wR(F^2) = 0.111	Weighting scheme based on measured s.u.'s w = 1/(σ^2(I) + 0.0004I^2)
S = 1.22	(Δ/σ)max = 0.033
980 reflections	Δρmax = 0.87 e Å^−3
71 parameters	Δρmin = −0.31 e Å^−3

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
M2ca	0.1853 (3)	0.25	0.4770 (2)	0.0305 (6)
M3ca	−0.00638 (19)	0.41511 (8)	0.18472 (17)	0.0359 (5)	0.5
M3k	−0.00638 (19)	0.41511 (8)	0.18472 (17)	0.0359 (5)	0.5
M1ca	−0.18838 (19)	0.37654 (8)	0.65082 (17)	0.0360 (5)	0.5
M1k	−0.18838 (19)	0.37654 (8)	0.65082 (17)	0.0360 (5)	0.5
C1a	0.8043 (13)	0.25	0.3439 (11)	0.0298 (12)*	0.741 (16)
O1a	0.733 (2)	0.1859 (6)	0.2862 (18)	0.0414 (16)*	0.371 (8)
O2a	0.803 (2)	0.3168 (6)	0.2669 (17)	0.0534 (19)*	0.371 (8)
O3a	0.871 (2)	0.25	0.4772 (14)	0.0514 (14)*	0.741 (16)
C1b	0.5182 (9)	0.25	0.6376 (8)	0.0298 (12)*
O1b	0.451 (3)	0.1815 (8)	0.596 (2)	0.0414 (16)*	0.5
O2b	0.478 (3)	0.3152 (8)	0.564 (2)	0.0534 (19)*	0.5
O3b	0.620 (3)	0.2557 (10)	0.7531 (15)	0.0514 (14)*	0.5
C1c	0.192 (3)	0.4466 (12)	0.536 (2)	0.0298 (12)*	0.149 (7)
O1c	0.182 (5)	0.444 (2)	0.392 (3)	0.0414 (16)*	0.149 (7)
O2c	0.304 (5)	0.495 (2)	0.597 (3)	0.0534 (19)*	0.149 (7)
O3c	0.090 (4)	0.404 (2)	0.621 (4)	0.0514 (14)*	0.149 (7)
C1d	0.1895 (12)	0.4534 (6)	0.5490 (11)	0.0298 (12)*	0.341 (13)
O1d	0.097 (3)	0.3949 (13)	0.493 (2)	0.0414 (16)*	0.341 (13)
O2d	0.169 (3)	0.4715 (14)	0.689 (2)	0.0534 (19)*	0.341 (13)
O3d	0.304 (2)	0.4923 (15)	0.471 (2)	0.0514 (14)*	0.341 (13)
C1e	0.766 (3)	0.2403 (13)	0.363 (3)	0.0298 (12)*	0.129 (8)
O1e	0.853 (13)	0.275 (4)	0.470 (5)	0.0414 (16)*	0.129 (8)
O2e	0.787 (13)	0.163 (5)	0.341 (5)	0.0534 (19)*	0.129 (8)
O3e	0.655 (8)	0.280 (6)	0.282 (5)	0.0514 (14)*	0.129 (8)
C1f	0.1779 (11)	0.4593 (5)	0.5449 (8)	0.0298 (12)*	0.510 (14)
O1f	0.155 (3)	0.4030 (12)	0.4456 (17)	0.0414 (16)*	0.510 (14)
O2f	0.088 (3)	0.4563 (13)	0.6675 (17)	0.0534 (19)*	0.510 (14)
O3f	0.292 (2)	0.5165 (13)	0.527 (2)	0.0514 (14)*	0.510 (14)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
M2ca	0.0330 (11)	0.0299 (10)	0.0287 (11)	0	0.0058 (11)	0
M3ca	0.0317 (8)	0.0326 (7)	0.0433 (9)	0.0040 (7)	0.0021 (8)	0.0072 (7)
M3k	0.0317 (8)	0.0326 (7)	0.0433 (9)	0.0040 (7)	0.0021 (8)	0.0072 (7)
M1ca	0.0395 (8)	0.0304 (7)	0.0382 (9)	0.0061 (7)	0.0002 (8)	−0.0003 (7)
M1k	0.0395 (8)	0.0304 (7)	0.0382 (9)	0.0061 (7)	0.0002 (8)	−0.0003 (7)

Geometric parameters (Å, º)

M2ca—O1a^i	2.559 (15)	M1k—O3b^iii	2.593 (17)
M2ca—O1a^ii	2.559 (15)	M1k—O3b^v	3.267 (18)
M2ca—O2a^i	2.558 (15)	M1k—O3b^vi	3.150 (18)
M2ca—O2a^ii	2.558 (15)	M1k—O3b^vii	2.734 (17)
M2ca—O3a^iii	2.371 (17)	M1k—O1c^ix	2.93 (3)
M2ca—O1b	2.515 (19)	M1k—O2c^ix	3.13 (3)
M2ca—O1b^iv	2.515 (19)	M1k—O2c^vi	2.93 (3)
M2ca—O2b	2.56 (2)	M1k—O3c	2.16 (3)
M2ca—O2b^iv	2.56 (2)	M1k—O3c^vi	2.65 (3)
M2ca—O3b^v	2.423 (13)	M1k—O1d	2.58 (2)
M2ca—O3b^vi	2.423 (13)	M1k—O2d	3.12 (2)
M2ca—O1d	2.44 (2)	M1k—O2d^vi	2.34 (2)
M2ca—O1d^iv	2.44 (2)	M1k—O3d^ix	2.53 (2)
M2ca—O1e^iii	2.54 (9)	M1k—O1e^iii	2.31 (6)
M2ca—O1e^vii	2.54 (9)	M1k—O1e^vii	2.94 (6)
M2ca—O3e^i	2.33 (5)	M1k—O2e^vii	2.80 (5)
M2ca—O3e^ii	2.33 (5)	M1k—O1f	3.18 (2)
M2ca—O1f	2.50 (2)	M1k—O2f	2.45 (2)
M2ca—O1f^iv	2.50 (2)	M1k—O2f^vi	2.657 (19)
M3ca—O1a^i	2.449 (13)	M1k—O3f^ix	2.459 (19)
M3ca—O1a^vii	2.704 (14)	C1a—O1a	1.272 (13)
M3ca—O2a^iii	2.260 (13)	C1a—O1a^iv	1.272 (13)
M3ca—O2b^ii	2.717 (17)	C1a—O2a	1.275 (12)
M3ca—O1c	2.35 (3)	C1a—O2a^iv	1.275 (12)
M3ca—O1c^ii	2.49 (4)	C1a—O3a	1.273 (16)
M3ca—O2c^viii	2.24 (4)	C1a—O1e	1.23 (5)
M3ca—O2d^ix	2.47 (2)	C1a—O1e^iv	1.23 (5)
M3ca—O3d^ii	2.34 (2)	C1a—O2e	1.41 (8)
M3ca—O2e^i	2.56 (9)	C1a—O2e^iv	1.41 (8)
M3ca—O2e^vii	2.43 (8)	C1a—O3e	1.34 (6)
M3ca—O3e^ii	2.52 (9)	C1a—O3e^iv	1.34 (6)
M3ca—O1f	2.599 (17)	C1b—O1b	1.272 (16)
M3ca—O2f^ix	2.53 (2)	C1b—O1b^iv	1.272 (16)
M3ca—O3f^viii	2.397 (18)	C1b—O2b	1.275 (15)
M3k—O1a^i	2.449 (13)	C1b—O2b^iv	1.275 (15)
M3k—O1a^vii	2.704 (14)	C1b—O3b	1.273 (17)
M3k—O2a^iii	2.260 (13)	C1b—O3b^iv	1.273 (17)
M3k—O2a^ii	2.856 (15)	C1c—O1c	1.27 (4)
M3k—O1b^i	2.936 (18)	C1c—O2c	1.27 (4)
M3k—O2b^ii	2.717 (17)	C1c—O3c	1.27 (4)
M3k—O1c	2.35 (3)	C1c—O1d	1.16 (3)
M3k—O1c^ii	2.49 (4)	C1c—O2d	1.41 (3)
M3k—O2c^viii	2.24 (4)	C1c—O3d	1.26 (3)
M3k—O2c^ix	3.28 (3)	C1c—O1f	1.10 (3)
M3k—O2c^ii	3.14 (3)	C1c—O2f	1.40 (3)
M3k—O1d	2.836 (19)	C1c—O3f	1.36 (3)
M3k—O2d^viii	3.13 (2)	C1d—O1c	1.39 (3)
M3k—O2d^ix	2.47 (2)	C1d—O2c	1.18 (4)
M3k—O3d^viii	2.84 (2)	C1d—O3c	1.27 (4)
M3k—O3d^ii	2.34 (2)	C1d—O1d	1.27 (2)
M3k—O2e^i	2.56 (9)	C1d—O2d	1.27 (2)
M3k—O2e^vii	2.43 (8)	C1d—O3d	1.27 (2)
M3k—O3e^ii	2.52 (9)	C1d—O1f	1.25 (2)
M3k—O1f	2.599 (17)	C1d—O2f	1.29 (2)
M3k—O1f^ii	2.81 (2)	C1d—O3f	1.29 (2)
M3k—O2f^ix	2.53 (2)	C1e—O1a	1.14 (3)
M3k—O3f^viii	2.397 (18)	C1e—O1a^iv	1.39 (2)
M3k—O3f^ii	2.911 (18)	C1e—O2a	1.52 (3)
M1ca—O3a^iii	2.591 (8)	C1e—O2a^iv	1.28 (3)
M1ca—O1b^v	2.631 (19)	C1e—O3a	1.29 (3)
M1ca—O3b^iii	2.593 (17)	C1e—O1e	1.27 (7)
M1ca—O3b^vii	2.734 (17)	C1e—O1e^iv	1.17 (7)
M1ca—O3c	2.16 (3)	C1e—O2e	1.27 (8)
M1ca—O3c^vi	2.65 (3)	C1e—O2e^iv	1.58 (8)
M1ca—O1d	2.58 (2)	C1e—O3e	1.27 (7)
M1ca—O2d^vi	2.34 (2)	C1e—O3e^iv	1.15 (6)
M1ca—O3d^ix	2.53 (2)	C1f—O1c	1.37 (3)
M1ca—O1e^iii	2.31 (6)	C1f—O2c	1.21 (4)
M1ca—O2f	2.45 (2)	C1f—O3c	1.30 (4)
M1ca—O2f^vi	2.657 (19)	C1f—O1d	1.29 (2)
M1ca—O3f^ix	2.459 (19)	C1f—O2d	1.28 (2)
M1k—O3a^iii	2.591 (8)	C1f—O3d	1.27 (2)
M1k—O1b^v	2.631 (19)	C1f—O1f	1.272 (19)
M1k—O1b^vii	2.92 (2)	C1f—O2f	1.275 (18)
M1k—O2b^iii	2.81 (2)	C1f—O3f	1.27 (2)
M1k—O2b^vi	2.974 (19)
O1a^i—M2ca—O1a^ii	47.8 (3)	O3b^iii—M1ca—O2f	148.2 (6)
O1a^i—M2ca—O2a^i	50.7 (4)	O3b^iii—M1ca—O2f^vi	78.7 (6)
O1a^i—M2ca—O2a^ii	12.5 (5)	O3b^iii—M1ca—O3f^ix	125.0 (6)
O1a^i—M2ca—O3a^iii	98.2 (4)	O3b^vii—M1ca—O3c	135.6 (11)
O1a^i—M2ca—O1b	116.2 (6)	O3b^vii—M1ca—O3c^vi	63.2 (9)
O1a^i—M2ca—O1b^iv	94.8 (5)	O3b^vii—M1ca—O1d	135.2 (6)
O1a^i—M2ca—O2b	88.8 (5)	O3b^vii—M1ca—O2d^vi	94.2 (6)
O1a^i—M2ca—O2b^iv	108.3 (5)	O3b^vii—M1ca—O3d^ix	127.7 (6)
O1a^i—M2ca—O3b^v	158.1 (4)	O3b^vii—M1ca—O1e^iii	74.9 (18)
O1a^i—M2ca—O3b^vi	153.8 (4)	O3b^vii—M1ca—O2f	147.3 (6)
O1a^i—M2ca—O1d	72.6 (5)	O3b^vii—M1ca—O2f^vi	81.2 (6)
O1a^i—M2ca—O1d^iv	118.7 (5)	O3b^vii—M1ca—O3f^ix	126.2 (5)
O1a^i—M2ca—O1e^iii	93.0 (11)	O3c—M1ca—O3c^vi	132.1 (11)
O1a^i—M2ca—O1e^vii	100.5 (11)	O3c—M1ca—O1d	25.9 (9)
O1a^i—M2ca—O3e^i	39 (2)	O3c—M1ca—O2d^vi	112.5 (11)
O1a^i—M2ca—O3e^ii	18 (2)	O3c—M1ca—O3d^ix	96.5 (11)
O1a^i—M2ca—O1f	60.8 (4)	O3c—M1ca—O1e^iii	86 (3)
O1a^i—M2ca—O1f^iv	108.3 (4)	O3c—M1ca—O2f	22.4 (11)
O1a^ii—M2ca—O2a^i	12.5 (5)	O3c—M1ca—O2f^vi	126.1 (11)
O1a^ii—M2ca—O2a^ii	50.7 (4)	O3c—M1ca—O3f^ix	95.0 (10)
O1a^ii—M2ca—O3a^iii	98.2 (4)	O3c^vi—M1ca—O1d	156.2 (9)
O1a^ii—M2ca—O1b	94.8 (5)	O3c^vi—M1ca—O2d^vi	31.4 (10)
O1a^ii—M2ca—O1b^iv	116.2 (6)	O3c^vi—M1ca—O3d^ix	87.7 (9)
O1a^ii—M2ca—O2b	108.3 (5)	O3c^vi—M1ca—O1e^iii	137 (2)
O1a^ii—M2ca—O2b^iv	88.8 (5)	O3c^vi—M1ca—O2f	113.7 (8)
O1a^ii—M2ca—O3b^v	153.8 (4)	O3c^vi—M1ca—O2f^vi	20.4 (9)
O1a^ii—M2ca—O3b^vi	158.1 (4)	O3c^vi—M1ca—O3f^ix	99.4 (9)
O1a^ii—M2ca—O1d	118.7 (5)	O1d—M1ca—O2d^vi	129.0 (7)
O1a^ii—M2ca—O1d^iv	72.6 (5)	O1d—M1ca—O3d^ix	88.0 (6)
O1a^ii—M2ca—O1e^iii	100.5 (11)	O1d—M1ca—O1e^iii	66 (2)
O1a^ii—M2ca—O1e^vii	93.0 (11)	O1d—M1ca—O2f	42.5 (6)
O1a^ii—M2ca—O3e^i	18 (2)	O1d—M1ca—O2f^vi	142.9 (7)
O1a^ii—M2ca—O3e^ii	39 (2)	O1d—M1ca—O3f^ix	80.9 (6)
O1a^ii—M2ca—O1f	108.3 (4)	O2d^vi—M1ca—O3d^ix	62.9 (7)
O1a^ii—M2ca—O1f^iv	60.8 (4)	O2d^vi—M1ca—O1e^iii	160 (2)
O2a^i—M2ca—O2a^ii	50.0 (3)	O2d^vi—M1ca—O2f	90.4 (7)
O2a^i—M2ca—O3a^iii	110.4 (5)	O2d^vi—M1ca—O2f^vi	14.1 (7)
O2a^i—M2ca—O1b	83.4 (6)	O2d^vi—M1ca—O3f^ix	77.0 (7)
O2a^i—M2ca—O1b^iv	104.9 (6)	O3d^ix—M1ca—O1e^iii	110.7 (16)
O2a^i—M2ca—O2b	97.1 (6)	O3d^ix—M1ca—O2f	82.9 (6)
O2a^i—M2ca—O2b^iv	77.0 (5)	O3d^ix—M1ca—O2f^vi	68.0 (6)
O2a^i—M2ca—O3b^v	150.9 (5)	O3d^ix—M1ca—O3f^ix	14.7 (6)
O2a^i—M2ca—O3b^vi	154.9 (5)	O1e^iii—M1ca—O2f	108 (2)
O2a^i—M2ca—O1d	123.3 (5)	O1e^iii—M1ca—O2f^vi	148 (2)
O2a^i—M2ca—O1d^iv	74.7 (5)	O1e^iii—M1ca—O3f^ix	96.0 (15)
O2a^i—M2ca—O1e^iii	112.9 (11)	O2f—M1ca—O2f^vi	104.3 (6)
O2a^i—M2ca—O1e^vii	104.8 (12)	O2f—M1ca—O3f^ix	86.4 (6)
O2a^i—M2ca—O3e^i	29.9 (18)	O2f^vi—M1ca—O3f^ix	80.7 (6)
O2a^i—M2ca—O3e^ii	46 (2)	O3a^iii—M1k—O1b^v	98.4 (4)
O2a^i—M2ca—O1f	111.0 (4)	O3a^iii—M1k—O1b^vii	79.0 (5)
O2a^i—M2ca—O1f^iv	61.4 (4)	O3a^iii—M1k—O2b^iii	73.4 (5)
O2a^ii—M2ca—O3a^iii	110.4 (5)	O3a^iii—M1k—O2b^vi	99.2 (4)
O2a^ii—M2ca—O1b	104.9 (6)	O3a^iii—M1k—O3b^iii	72.8 (4)
O2a^ii—M2ca—O1b^iv	83.4 (6)	O3a^iii—M1k—O3b^v	60.8 (4)
O2a^ii—M2ca—O2b	77.0 (5)	O3a^iii—M1k—O3b^vi	62.6 (4)
O2a^ii—M2ca—O2b^iv	97.1 (6)	O3a^iii—M1k—O3b^vii	70.5 (4)
O2a^ii—M2ca—O3b^v	154.9 (5)	O3a^iii—M1k—O1c^ix	134.9 (6)
O2a^ii—M2ca—O3b^vi	150.9 (5)	O3a^iii—M1k—O2c^ix	99.3 (6)
O2a^ii—M2ca—O1d	74.7 (5)	O3a^iii—M1k—O2c^vi	165.0 (7)
O2a^ii—M2ca—O1d^iv	123.3 (5)	O3a^iii—M1k—O3c	85.7 (10)
O2a^ii—M2ca—O1e^iii	104.8 (12)	O3a^iii—M1k—O3c^vi	133.4 (9)
O2a^ii—M2ca—O1e^vii	112.9 (11)	O3a^iii—M1k—O1d	68.4 (6)
O2a^ii—M2ca—O3e^i	46 (2)	O3a^iii—M1k—O2d	107.7 (5)
O2a^ii—M2ca—O3e^ii	29.9 (18)	O3a^iii—M1k—O2d^vi	161.8 (7)
O2a^ii—M2ca—O1f	61.4 (4)	O3a^iii—M1k—O3d^ix	118.3 (5)
O2a^ii—M2ca—O1f^iv	111.0 (4)	O3a^iii—M1k—O1e^iii	7.6 (15)
O3a^iii—M2ca—O1b	142.7 (5)	O3a^iii—M1k—O1e^vii	5.3 (16)
O3a^iii—M2ca—O1b^iv	142.7 (5)	O3a^iii—M1k—O2e^vii	42.2 (16)
O3a^iii—M2ca—O2b	149.5 (4)	O3a^iii—M1k—O1f	68.5 (5)
O3a^iii—M2ca—O2b^iv	149.5 (4)	O3a^iii—M1k—O2f	107.8 (6)
O3a^iii—M2ca—O3b^v	78.2 (6)	O3a^iii—M1k—O2f^vi	147.8 (6)
O3a^iii—M2ca—O3b^vi	78.2 (6)	O3a^iii—M1k—O3f^ix	103.6 (5)
O3a^iii—M2ca—O1d	74.2 (5)	O1b^v—M1k—O1b^vii	113.3 (5)
O3a^iii—M2ca—O1d^iv	74.2 (5)	O1b^v—M1k—O2b^iii	117.4 (5)
O3a^iii—M2ca—O1e^iii	9.3 (15)	O1b^v—M1k—O2b^vi	1.9 (5)
O3a^iii—M2ca—O1e^vii	9.3 (15)	O1b^v—M1k—O3b^iii	70.2 (5)
O3a^iii—M2ca—O3e^i	84.3 (14)	O1b^v—M1k—O3b^v	42.7 (5)
O3a^iii—M2ca—O3e^ii	84.3 (14)	O1b^v—M1k—O3b^vi	42.1 (5)
O3a^iii—M2ca—O1f	84.7 (5)	O1b^v—M1k—O3b^vii	69.8 (5)
O3a^iii—M2ca—O1f^iv	84.7 (5)	O1b^v—M1k—O1c^ix	117.1 (7)
O1b—M2ca—O1b^iv	52.3 (5)	O1b^v—M1k—O2c^ix	159.3 (7)
O1b—M2ca—O2b	51.1 (5)	O1b^v—M1k—O2c^vi	66.7 (7)
O1b—M2ca—O2b^iv	7.9 (6)	O1b^v—M1k—O3c	77.8 (10)
O1b—M2ca—O3b^v	74.9 (6)	O1b^v—M1k—O3c^vi	70.9 (8)
O1b—M2ca—O3b^vi	76.9 (6)	O1b^v—M1k—O1d	99.3 (6)
O1b—M2ca—O1d	128.0 (6)	O1b^v—M1k—O2d	74.9 (5)
O1b—M2ca—O1d^iv	76.6 (6)	O1b^v—M1k—O2d^vi	84.9 (6)
O1b—M2ca—O1e^iii	150.0 (13)	O1b^v—M1k—O3d^ix	142.5 (6)
O1b—M2ca—O1e^vii	136.5 (14)	O1b^v—M1k—O1e^iii	105.9 (16)
O1b—M2ca—O3e^i	113.1 (19)	O1b^v—M1k—O1e^vii	96.7 (12)
O1b—M2ca—O3e^ii	125.1 (17)	O1b^v—M1k—O2e^vii	139.9 (17)
O1b—M2ca—O1f	123.7 (6)	O1b^v—M1k—O1f	101.7 (5)
O1b—M2ca—O1f^iv	71.5 (6)	O1b^v—M1k—O2f	78.4 (6)
O1b^iv—M2ca—O2b	7.9 (6)	O1b^v—M1k—O2f^vi	85.4 (6)
O1b^iv—M2ca—O2b^iv	51.1 (5)	O1b^v—M1k—O3f^ix	156.2 (5)
O1b^iv—M2ca—O3b^v	76.9 (6)	O1b^vii—M1k—O2b^iii	6.8 (5)
O1b^iv—M2ca—O3b^vi	74.9 (6)	O1b^vii—M1k—O2b^vi	115.1 (5)
O1b^iv—M2ca—O1d	76.6 (6)	O1b^vii—M1k—O3b^iii	45.1 (5)
O1b^iv—M2ca—O1d^iv	128.0 (6)	O1b^vii—M1k—O3b^v	119.6 (4)
O1b^iv—M2ca—O1e^iii	136.5 (14)	O1b^vii—M1k—O3b^vi	122.1 (4)
O1b^iv—M2ca—O1e^vii	150.0 (13)	O1b^vii—M1k—O3b^vii	46.3 (5)
O1b^iv—M2ca—O3e^i	125.1 (17)	O1b^vii—M1k—O1c^ix	108.3 (8)
O1b^iv—M2ca—O3e^ii	113.1 (19)	O1b^vii—M1k—O2c^ix	80.7 (8)
O1b^iv—M2ca—O1f	71.5 (6)	O1b^vii—M1k—O2c^vi	108.5 (8)
O1b^iv—M2ca—O1f^iv	123.7 (6)	O1b^vii—M1k—O3c	162.1 (9)
O2b—M2ca—O2b^iv	48.6 (5)	O1b^vii—M1k—O3c^vi	65.8 (8)
O2b—M2ca—O3b^v	84.3 (6)	O1b^vii—M1k—O1d	136.7 (6)
O2b—M2ca—O3b^vi	82.5 (6)	O1b^vii—M1k—O2d	169.0 (5)
O2b—M2ca—O1d	79.7 (6)	O1b^vii—M1k—O2d^vi	83.3 (6)
O2b—M2ca—O1d^iv	127.8 (6)	O1b^vii—M1k—O3d^ix	83.0 (5)
O2b—M2ca—O1e^iii	142.4 (15)	O1b^vii—M1k—O1e^iii	77 (2)
O2b—M2ca—O1e^vii	157.4 (13)	O1b^vii—M1k—O1e^vii	74.9 (19)
O2b—M2ca—O3e^i	117.4 (16)	O1b^vii—M1k—O2e^vii	73 (2)
O2b—M2ca—O3e^ii	106.9 (18)	O1b^vii—M1k—O1f	135.1 (5)
O2b—M2ca—O1f	72.8 (6)	O1b^vii—M1k—O2f	165.9 (6)
O2b—M2ca—O1f^iv	121.3 (6)	O1b^vii—M1k—O2f^vi	70.3 (6)
O2b^iv—M2ca—O3b^v	82.5 (6)	O1b^vii—M1k—O3f^ix	80.0 (5)
O2b^iv—M2ca—O3b^vi	84.3 (6)	O2b^iii—M1k—O2b^vi	119.3 (5)
O2b^iv—M2ca—O1d	127.8 (6)	O2b^iii—M1k—O3b^iii	47.8 (5)
O2b^iv—M2ca—O1d^iv	79.7 (6)	O2b^iii—M1k—O3b^v	118.3 (4)
O2b^iv—M2ca—O1e^iii	157.4 (13)	O2b^iii—M1k—O3b^vi	120.9 (4)
O2b^iv—M2ca—O1e^vii	142.4 (15)	O2b^iii—M1k—O3b^vii	48.6 (5)
O2b^iv—M2ca—O3e^i	106.9 (18)	O2b^iii—M1k—O1c^ix	109.3 (8)
O2b^iv—M2ca—O3e^ii	117.4 (16)	O2b^iii—M1k—O2c^ix	78.2 (7)
O2b^iv—M2ca—O1f	121.3 (6)	O2b^iii—M1k—O2c^vi	114.8 (8)
O2b^iv—M2ca—O1f^iv	72.8 (6)	O2b^iii—M1k—O3c	155.4 (9)
O3b^v—M2ca—O3b^vi	4.3 (5)	O2b^iii—M1k—O3c^vi	72.6 (8)
O3b^v—M2ca—O1d	85.7 (6)	O2b^iii—M1k—O1d	129.9 (6)
O3b^v—M2ca—O1d^iv	81.5 (6)	O2b^iii—M1k—O2d	167.5 (5)
O3b^v—M2ca—O1e^iii	80.1 (11)	O2b^iii—M1k—O2d^vi	89.2 (6)
O3b^v—M2ca—O1e^vii	79.4 (11)	O2b^iii—M1k—O3d^ix	82.6 (5)
O3b^v—M2ca—O3e^i	157.5 (19)	O2b^iii—M1k—O1e^iii	71 (2)
O3b^v—M2ca—O3e^ii	160.0 (17)	O2b^iii—M1k—O1e^vii	69.6 (19)
O3b^v—M2ca—O1f	97.3 (5)	O2b^iii—M1k—O2e^vii	66 (2)
O3b^v—M2ca—O1f^iv	93.0 (5)	O2b^iii—M1k—O1f	128.4 (5)
O3b^vi—M2ca—O1d	81.5 (6)	O2b^iii—M1k—O2f	164.0 (5)
O3b^vi—M2ca—O1d^iv	85.7 (6)	O2b^iii—M1k—O2f^vi	76.5 (6)
O3b^vi—M2ca—O1e^iii	79.4 (11)	O2b^iii—M1k—O3f^ix	78.0 (5)
O3b^vi—M2ca—O1e^vii	80.1 (11)	O2b^vi—M1k—O3b^iii	72.0 (5)
O3b^vi—M2ca—O3e^i	160.0 (17)	O2b^vi—M1k—O3b^v	42.6 (4)
O3b^vi—M2ca—O3e^ii	157.5 (19)	O2b^vi—M1k—O3b^vi	42.0 (4)
O3b^vi—M2ca—O1f	93.0 (5)	O2b^vi—M1k—O3b^vii	71.6 (5)
O3b^vi—M2ca—O1f^iv	97.3 (5)	O2b^vi—M1k—O1c^ix	115.6 (7)
O1d—M2ca—O1d^iv	147.7 (8)	O2b^vi—M1k—O2c^ix	157.7 (7)
O1d—M2ca—O1e^iii	65.2 (16)	O2b^vi—M1k—O2c^vi	65.9 (7)
O1d—M2ca—O1e^vii	83.5 (16)	O2b^vi—M1k—O3c	76.2 (10)
O1d—M2ca—O3e^i	103 (2)	O2b^vi—M1k—O3c^vi	71.6 (8)
O1d—M2ca—O3e^ii	80 (2)	O2b^vi—M1k—O1d	98.0 (6)
O1d—M2ca—O1f	14.2 (7)	O2b^vi—M1k—O2d	73.1 (5)
O1d—M2ca—O1f^iv	158.7 (7)	O2b^vi—M1k—O2d^vi	84.6 (6)
O1d^iv—M2ca—O1e^iii	83.5 (16)	O2b^vi—M1k—O3d^ix	141.4 (5)
O1d^iv—M2ca—O1e^vii	65.2 (16)	O2b^vi—M1k—O1e^iii	106.7 (17)
O1d^iv—M2ca—O3e^i	80 (2)	O2b^vi—M1k—O1e^vii	97.7 (12)
O1d^iv—M2ca—O3e^ii	103 (2)	O2b^vi—M1k—O2e^vii	140.3 (17)
O1d^iv—M2ca—O1f	158.7 (7)	O2b^vi—M1k—O1f	100.4 (5)
O1d^iv—M2ca—O1f^iv	14.2 (7)	O2b^vi—M1k—O2f	76.6 (5)
O1e^iii—M2ca—O1e^vii	18 (2)	O2b^vi—M1k—O2f^vi	85.6 (5)
O1e^iii—M2ca—O3e^i	84.9 (18)	O2b^vi—M1k—O3f^ix	154.8 (5)
O1e^iii—M2ca—O3e^ii	81.1 (17)	O3b^iii—M1k—O3b^v	79.3 (5)
O1e^iii—M2ca—O1f	75.4 (16)	O3b^iii—M1k—O3b^vi	81.4 (5)
O1e^iii—M2ca—O1f^iv	93.7 (16)	O3b^iii—M1k—O3b^vii	2.5 (5)
O1e^vii—M2ca—O3e^i	81.1 (17)	O3b^iii—M1k—O1c^ix	143.3 (8)
O1e^vii—M2ca—O3e^ii	84.9 (18)	O3b^iii—M1k—O2c^ix	125.8 (8)
O1e^vii—M2ca—O1f	93.7 (16)	O3b^iii—M1k—O2c^vi	102.9 (7)
O1e^vii—M2ca—O1f^iv	75.4 (16)	O3b^iii—M1k—O3c	137.6 (11)
O3e^i—M2ca—O3e^ii	24 (3)	O3b^iii—M1k—O3c^vi	60.8 (9)
O3e^i—M2ca—O1f	95 (2)	O3b^iii—M1k—O1d	137.7 (6)
O3e^i—M2ca—O1f^iv	71 (2)	O3b^iii—M1k—O2d	144.7 (5)
O3e^ii—M2ca—O1f	71 (2)	O3b^iii—M1k—O2d^vi	91.8 (6)
O3e^ii—M2ca—O1f^iv	95 (2)	O3b^iii—M1k—O3d^ix	125.8 (6)
O1f—M2ca—O1f^iv	163.5 (6)	O3b^iii—M1k—O1e^iii	77.1 (19)
O1a^i—M3ca—O1a^vii	95.6 (4)	O3b^iii—M1k—O1e^vii	67.5 (15)
O1a^i—M3ca—O2a^iii	88.0 (5)	O3b^iii—M1k—O2e^vii	97.3 (17)
O1a^i—M3ca—O2b^ii	73.7 (5)	O3b^iii—M1k—O1f	138.7 (5)
O1a^i—M3ca—O1c	66.9 (9)	O3b^iii—M1k—O2f	148.2 (6)
O1a^i—M3ca—O1c^ii	148.3 (8)	O3b^iii—M1k—O2f^vi	78.7 (6)
O1a^i—M3ca—O2c^viii	88.0 (10)	O3b^iii—M1k—O3f^ix	125.0 (6)
O1a^i—M3ca—O2d^ix	144.6 (6)	O3b^v—M1k—O3b^vi	2.5 (4)
O1a^i—M3ca—O3d^ii	150.2 (6)	O3b^v—M1k—O3b^vii	77.2 (5)
O1a^i—M3ca—O2e^i	16.6 (15)	O3b^v—M1k—O1c^ix	132.1 (8)
O1a^i—M3ca—O2e^vii	94 (2)	O3b^v—M1k—O2c^ix	144.2 (7)
O1a^i—M3ca—O3e^ii	18.8 (16)	O3b^v—M1k—O2c^vi	104.4 (7)
O1a^i—M3ca—O1f	60.9 (6)	O3b^v—M1k—O3c	58.4 (11)
O1a^i—M3ca—O2f^ix	132.4 (5)	O3b^v—M1k—O3c^vi	111.3 (8)
O1a^i—M3ca—O3f^viii	82.5 (6)	O3b^v—M1k—O1d	67.7 (6)
O1a^vii—M3ca—O2a^iii	7.8 (4)	O3b^v—M1k—O2d	71.4 (5)
O1a^vii—M3ca—O2b^ii	82.7 (5)	O3b^v—M1k—O2d^vi	126.9 (5)
O1a^vii—M3ca—O1c	107.7 (9)	O3b^v—M1k—O3d^ix	154.6 (5)
O1a^vii—M3ca—O1c^ii	61.2 (8)	O3b^v—M1k—O1e^iii	67.5 (19)
O1a^vii—M3ca—O2c^viii	176.4 (10)	O3b^v—M1k—O1e^vii	61.2 (15)
O1a^vii—M3ca—O2d^ix	86.6 (6)	O3b^v—M1k—O2e^vii	98.5 (18)
O1a^vii—M3ca—O3d^ii	94.2 (6)	O3b^v—M1k—O1f	69.9 (4)
O1a^vii—M3ca—O2e^i	111.0 (18)	O3b^v—M1k—O2f	74.1 (6)
O1a^vii—M3ca—O2e^vii	15.2 (15)	O3b^v—M1k—O2f^vi	127.9 (4)
O1a^vii—M3ca—O3e^ii	77.6 (15)	O3b^v—M1k—O3f^ix	148.2 (5)
O1a^vii—M3ca—O1f	90.2 (6)	O3b^vi—M1k—O3b^vii	79.4 (5)
O1a^vii—M3ca—O2f^ix	98.8 (5)	O3b^vi—M1k—O1c^ix	129.6 (8)
O1a^vii—M3ca—O3f^viii	163.4 (6)	O3b^vi—M1k—O2c^ix	143.3 (7)
O2a^iii—M3ca—O2b^ii	79.0 (5)	O3b^vi—M1k—O2c^vi	102.7 (7)
O2a^iii—M3ca—O1c	106.1 (9)	O3b^vi—M1k—O3c	56.3 (11)
O2a^iii—M3ca—O1c^ii	67.7 (9)	O3b^vi—M1k—O3c^vi	111.5 (8)
O2a^iii—M3ca—O2c^viii	175.6 (10)	O3b^vi—M1k—O1d	66.4 (6)
O2a^iii—M3ca—O2d^ix	93.7 (6)	O3b^vi—M1k—O2d	68.9 (5)
O2a^iii—M3ca—O3d^ii	100.1 (6)	O3b^vi—M1k—O2d^vi	125.8 (5)
O2a^iii—M3ca—O2e^i	103.3 (18)	O3b^vi—M1k—O3d^ix	152.6 (5)
O2a^iii—M3ca—O2e^vii	17.6 (15)	O3b^vi—M1k—O1e^iii	69 (2)
O2a^iii—M3ca—O3e^ii	69.9 (16)	O3b^vi—M1k—O1e^vii	63.2 (16)
O2a^iii—M3ca—O1f	87.8 (6)	O3b^vi—M1k—O2e^vii	99.6 (18)
O2a^iii—M3ca—O2f^ix	105.2 (6)	O3b^vi—M1k—O1f	68.7 (5)
O2a^iii—M3ca—O3f^viii	159.5 (6)	O3b^vi—M1k—O2f	71.7 (6)
O2b^ii—M3ca—O1c	139.9 (10)	O3b^vi—M1k—O2f^vi	127.5 (4)
O2b^ii—M3ca—O1c^ii	81.7 (9)	O3b^vi—M1k—O3f^ix	147.2 (5)
O2b^ii—M3ca—O2c^viii	98.0 (9)	O3b^vii—M1k—O1c^ix	145.7 (8)
O2b^ii—M3ca—O2d^ix	141.3 (6)	O3b^vii—M1k—O2c^ix	126.8 (8)
O2b^ii—M3ca—O3d^ii	79.8 (7)	O3b^vii—M1k—O2c^vi	104.8 (7)
O2b^ii—M3ca—O2e^i	70.9 (14)	O3b^vii—M1k—O3c	135.6 (11)
O2b^ii—M3ca—O2e^vii	96.6 (15)	O3b^vii—M1k—O3c^vi	63.2 (9)
O2b^ii—M3ca—O3e^ii	66.3 (12)	O3b^vii—M1k—O1d	135.2 (6)
O2b^ii—M3ca—O1f	133.0 (6)	O3b^vii—M1k—O2d	143.8 (5)
O2b^ii—M3ca—O2f^ix	153.1 (6)	O3b^vii—M1k—O2d^vi	94.2 (6)
O2b^ii—M3ca—O3f^viii	80.9 (6)	O3b^vii—M1k—O3d^ix	127.7 (6)
O1c—M3ca—O1c^ii	137.7 (11)	O3b^vii—M1k—O1e^iii	74.9 (18)
O1c—M3ca—O2c^viii	74.0 (11)	O3b^vii—M1k—O1e^vii	65.2 (15)
O1c—M3ca—O2d^ix	78.8 (10)	O3b^vii—M1k—O2e^vii	96.1 (17)
O1c—M3ca—O3d^ii	135.4 (10)	O3b^vii—M1k—O1f	136.2 (5)
O1c—M3ca—O2e^i	69.2 (16)	O3b^vii—M1k—O2f	147.3 (6)
O1c—M3ca—O2e^vii	93.1 (18)	O3b^vii—M1k—O2f^vi	81.2 (6)
O1c—M3ca—O3e^ii	78.0 (16)	O3b^vii—M1k—O3f^ix	126.2 (5)
O1c—M3ca—O1f	18.7 (9)	O1c^ix—M1k—O2c^ix	42.2 (9)
O1c—M3ca—O2f^ix	65.5 (10)	O1c^ix—M1k—O2c^vi	56.3 (9)
O1c—M3ca—O3f^viii	86.9 (9)	O1c^ix—M1k—O3c	76.4 (13)
O1c^ii—M3ca—O2c^viii	115.4 (12)	O1c^ix—M1k—O3c^vi	86.6 (11)
O1c^ii—M3ca—O2d^ix	60.7 (9)	O1c^ix—M1k—O1d	78.6 (9)
O1c^ii—M3ca—O3d^ii	33.4 (9)	O1c^ix—M1k—O2d	60.7 (9)
O1c^ii—M3ca—O2e^i	152.4 (16)	O1c^ix—M1k—O2d^vi	55.5 (8)
O1c^ii—M3ca—O2e^vii	69 (2)	O1c^ix—M1k—O3d^ix	28.4 (8)
O1c^ii—M3ca—O3e^ii	130.5 (18)	O1c^ix—M1k—O1e^iii	128.0 (15)
O1c^ii—M3ca—O1f	133.9 (8)	O1c^ix—M1k—O1e^vii	139.2 (12)
O1c^ii—M3ca—O2f^ix	75.8 (9)	O1c^ix—M1k—O2e^vii	96.0 (16)
O1c^ii—M3ca—O3f^viii	113.2 (9)	O1c^ix—M1k—O1f	77.3 (8)
O2c^viii—M3ca—O2d^ix	90.7 (10)	O1c^ix—M1k—O2f	58.1 (9)
O2c^viii—M3ca—O3d^ii	82.5 (10)	O1c^ix—M1k—O2f^vi	66.8 (8)
O2c^viii—M3ca—O2e^i	73 (2)	O1c^ix—M1k—O3f^ix	39.3 (8)
O2c^viii—M3ca—O2e^vii	165.1 (16)	O2c^ix—M1k—O2c^vi	94.9 (9)
O2c^viii—M3ca—O3e^ii	105.9 (18)	O2c^ix—M1k—O3c	92.9 (12)
O2c^viii—M3ca—O1f	91.8 (9)	O2c^ix—M1k—O3c^vi	103.9 (10)
O2c^viii—M3ca—O2f^ix	79.0 (10)	O2c^ix—M1k—O1d	77.4 (8)
O2c^viii—M3ca—O3f^viii	17.2 (9)	O2c^ix—M1k—O2d	89.4 (8)
O2d^ix—M3ca—O3d^ii	64.0 (7)	O2c^ix—M1k—O2d^vi	81.7 (8)
O2d^ix—M3ca—O2e^i	146.8 (16)	O2c^ix—M1k—O3d^ix	19.2 (7)
O2d^ix—M3ca—O2e^vii	79.4 (19)	O2c^ix—M1k—O1e^iii	91.6 (16)
O2d^ix—M3ca—O3e^ii	146.3 (11)	O2c^ix—M1k—O1e^vii	101.8 (12)
O2d^ix—M3ca—O1f	83.9 (6)	O2c^ix—M1k—O2e^vii	57.1 (17)
O2d^ix—M3ca—O2f^ix	15.8 (7)	O2c^ix—M1k—O1f	75.1 (7)
O2d^ix—M3ca—O3f^viii	104.5 (7)	O2c^ix—M1k—O2f	86.0 (8)
O3d^ii—M3ca—O2e^i	137.8 (12)	O2c^ix—M1k—O2f^vi	85.4 (7)
O3d^ii—M3ca—O2e^vii	103 (2)	O2c^ix—M1k—O3f^ix	4.7 (7)
O3d^ii—M3ca—O3e^ii	145.8 (13)	O2c^vi—M1k—O3c	88.6 (12)
O3d^ii—M3ca—O1f	147.1 (7)	O2c^vi—M1k—O3c^vi	46.1 (10)
O3d^ii—M3ca—O2f^ix	73.2 (7)	O2c^vi—M1k—O1d	110.2 (8)
O3d^ii—M3ca—O3f^viii	80.1 (6)	O2c^vi—M1k—O2d	67.2 (8)
O2e^i—M3ca—O2e^vii	110 (3)	O2c^vi—M1k—O2d^vi	26.9 (9)
O2e^i—M3ca—O3e^ii	33 (2)	O2c^vi—M1k—O3d^ix	76.2 (8)
O2e^i—M3ca—O1f	68.7 (11)	O2c^vi—M1k—O1e^iii	172 (2)
O2e^i—M3ca—O2f^ix	131.4 (17)	O2c^vi—M1k—O1e^vii	163.3 (13)
O2e^i—M3ca—O3f^viii	66.0 (16)	O2c^vi—M1k—O2e^vii	151.8 (17)
O2e^vii—M3ca—O3e^ii	78 (2)	O2c^vi—M1k—O1f	110.8 (8)
O2e^vii—M3ca—O1f	76.2 (18)	O2c^vi—M1k—O2f	68.0 (8)
O2e^vii—M3ca—O2f^ix	89.1 (17)	O2c^vi—M1k—O2f^vi	38.4 (8)
O2e^vii—M3ca—O3f^viii	176 (2)	O2c^vi—M1k—O3f^ix	90.7 (8)
O3e^ii—M3ca—O1f	66.8 (12)	O3c—M1k—O3c^vi	132.1 (11)
O3e^ii—M3ca—O2f^ix	140.5 (12)	O3c—M1k—O1d	25.9 (9)
O3e^ii—M3ca—O3f^viii	98.3 (14)	O3c—M1k—O2d	22.0 (11)
O1f—M3ca—O2f^ix	73.9 (6)	O3c—M1k—O2d^vi	112.5 (11)
O1f—M3ca—O3f^viii	103.1 (6)	O3c—M1k—O3d^ix	96.5 (11)
O2f^ix—M3ca—O3f^viii	94.6 (7)	O3c—M1k—O1e^iii	86 (3)
O1a^i—M3k—O1a^vii	95.6 (4)	O3c—M1k—O1e^vii	90 (2)
O1a^i—M3k—O2a^iii	88.0 (5)	O3c—M1k—O2e^vii	90 (2)
O1a^i—M3k—O2a^ii	8.2 (4)	O3c—M1k—O1f	27.7 (9)
O1a^i—M3k—O1b^i	79.2 (5)	O3c—M1k—O2f	22.4 (11)
O1a^i—M3k—O2b^ii	73.7 (5)	O3c—M1k—O2f^vi	126.1 (11)
O1a^i—M3k—O1c	66.9 (9)	O3c—M1k—O3f^ix	95.0 (10)
O1a^i—M3k—O1c^ii	148.3 (8)	O3c^vi—M1k—O1d	156.2 (9)
O1a^i—M3k—O2c^viii	88.0 (10)	O3c^vi—M1k—O2d	112.4 (8)
O1a^i—M3k—O2c^ix	137.5 (7)	O3c^vi—M1k—O2d^vi	31.4 (10)
O1a^i—M3k—O2c^ii	133.9 (7)	O3c^vi—M1k—O3d^ix	87.7 (9)
O1a^i—M3k—O1d	67.7 (6)	O3c^vi—M1k—O1e^iii	137 (2)
O1a^i—M3k—O2d^viii	77.9 (5)	O3c^vi—M1k—O1e^vii	128.0 (17)
O1a^i—M3k—O2d^ix	144.6 (6)	O3c^vi—M1k—O2e^vii	137 (2)
O1a^i—M3k—O3d^viii	91.4 (5)	O3c^vi—M1k—O1f	156.9 (8)
O1a^i—M3k—O3d^ii	150.2 (6)	O3c^vi—M1k—O2f	113.7 (8)
O1a^i—M3k—O2e^i	16.6 (15)	O3c^vi—M1k—O2f^vi	20.4 (9)
O1a^i—M3k—O2e^vii	94 (2)	O3c^vi—M1k—O3f^ix	99.4 (9)
O1a^i—M3k—O3e^ii	18.8 (16)	O1d—M1k—O2d	43.9 (6)
O1a^i—M3k—O1f	60.9 (6)	O1d—M1k—O2d^vi	129.0 (7)
O1a^i—M3k—O1f^ii	131.9 (5)	O1d—M1k—O3d^ix	88.0 (6)
O1a^i—M3k—O2f^ix	132.4 (5)	O1d—M1k—O1e^iii	66 (2)
O1a^i—M3k—O3f^viii	82.5 (6)	O1d—M1k—O1e^vii	73.6 (17)
O1a^i—M3k—O3f^ii	145.9 (5)	O1d—M1k—O2e^vii	64 (2)
O1a^vii—M3k—O2a^iii	7.8 (4)	O1d—M1k—O1f	2.4 (6)
O1a^vii—M3k—O2a^ii	102.0 (4)	O1d—M1k—O2f	42.5 (6)
O1a^vii—M3k—O1b^i	82.8 (5)	O1d—M1k—O2f^vi	142.9 (7)
O1a^vii—M3k—O2b^ii	82.7 (5)	O1d—M1k—O3f^ix	80.9 (6)
O1a^vii—M3k—O1c	107.7 (9)	O2d—M1k—O2d^vi	90.5 (7)
O1a^vii—M3k—O1c^ii	61.2 (8)	O2d—M1k—O3d^ix	86.1 (6)
O1a^vii—M3k—O2c^viii	176.4 (10)	O2d—M1k—O1e^iii	108 (2)
O1a^vii—M3k—O2c^ix	65.1 (7)	O2d—M1k—O1e^vii	112.2 (19)
O1a^vii—M3k—O2c^ii	100.3 (7)	O2d—M1k—O2e^vii	105.9 (19)
O1a^vii—M3k—O1d	79.4 (6)	O2d—M1k—O1f	45.0 (5)
O1a^vii—M3k—O2d^viii	159.7 (5)	O2d—M1k—O2f	3.5 (6)
O1a^vii—M3k—O2d^ix	86.6 (6)	O2d—M1k—O2f^vi	104.2 (6)
O1a^vii—M3k—O3d^viii	157.5 (5)	O2d—M1k—O3f^ix	89.8 (6)
O1a^vii—M3k—O3d^ii	94.2 (6)	O2d^vi—M1k—O3d^ix	62.9 (7)
O1a^vii—M3k—O2e^i	111.0 (18)	O2d^vi—M1k—O1e^iii	160 (2)
O1a^vii—M3k—O2e^vii	15.2 (15)	O2d^vi—M1k—O1e^vii	156.9 (18)
O1a^vii—M3k—O3e^ii	77.6 (15)	O2d^vi—M1k—O2e^vii	134.7 (19)
O1a^vii—M3k—O1f	90.2 (6)	O2d^vi—M1k—O1f	128.6 (7)
O1a^vii—M3k—O1f^ii	55.4 (5)	O2d^vi—M1k—O2f	90.4 (7)
O1a^vii—M3k—O2f^ix	98.8 (5)	O2d^vi—M1k—O2f^vi	14.1 (7)
O1a^vii—M3k—O3f^viii	163.4 (6)	O2d^vi—M1k—O3f^ix	77.0 (7)
O1a^vii—M3k—O3f^ii	99.9 (5)	O3d^ix—M1k—O1e^iii	110.7 (16)
O2a^iii—M3k—O2a^ii	94.6 (4)	O3d^ix—M1k—O1e^vii	120.5 (12)
O2a^iii—M3k—O1b^i	79.8 (5)	O3d^ix—M1k—O2e^vii	76.1 (17)
O2a^iii—M3k—O2b^ii	79.0 (5)	O3d^ix—M1k—O1f	86.0 (5)
O2a^iii—M3k—O1c	106.1 (9)	O3d^ix—M1k—O2f	82.9 (6)
O2a^iii—M3k—O1c^ii	67.7 (9)	O3d^ix—M1k—O2f^vi	68.0 (6)
O2a^iii—M3k—O2c^viii	175.6 (10)	O3d^ix—M1k—O3f^ix	14.7 (6)
O2a^iii—M3k—O2c^ix	72.0 (7)	O1e^iii—M1k—O1e^vii	11.2 (17)
O2a^iii—M3k—O2c^ii	104.7 (8)	O1e^iii—M1k—O2e^vii	35 (2)
O2a^iii—M3k—O1d	77.8 (6)	O1e^iii—M1k—O1f	66 (2)
O2a^iii—M3k—O2d^viii	157.3 (5)	O1e^iii—M1k—O2f	108 (2)
O2a^iii—M3k—O2d^ix	93.7 (6)	O1e^iii—M1k—O2f^vi	148 (2)
O2a^iii—M3k—O3d^viii	157.1 (6)	O1e^iii—M1k—O3f^ix	96.0 (15)
O2a^iii—M3k—O3d^ii	100.1 (6)	O1e^vii—M1k—O2e^vii	44.8 (19)
O2a^iii—M3k—O2e^i	103.3 (18)	O1e^vii—M1k—O1f	73.8 (17)
O2a^iii—M3k—O2e^vii	17.6 (15)	O1e^vii—M1k—O2f	112.5 (19)
O2a^iii—M3k—O3e^ii	69.9 (16)	O1e^vii—M1k—O2f^vi	142.8 (18)
O2a^iii—M3k—O1f	87.8 (6)	O1e^vii—M1k—O3f^ix	106.0 (12)
O2a^iii—M3k—O1f^ii	60.2 (5)	O2e^vii—M1k—O1f	62 (2)
O2a^iii—M3k—O2f^ix	105.2 (6)	O2e^vii—M1k—O2f	103.5 (19)
O2a^iii—M3k—O3f^viii	159.5 (6)	O2e^vii—M1k—O2f^vi	131 (2)
O2a^iii—M3k—O3f^ii	105.6 (5)	O2e^vii—M1k—O3f^ix	61.5 (16)
O2a^ii—M3k—O1b^i	85.3 (5)	O1f—M1k—O2f	43.4 (5)
O2a^ii—M3k—O2b^ii	79.8 (5)	O1f—M1k—O2f^vi	142.3 (6)
O2a^ii—M3k—O1c	60.2 (9)	O1f—M1k—O3f^ix	78.6 (5)
O2a^ii—M3k—O1c^ii	156.5 (8)	O2f—M1k—O2f^vi	104.3 (6)
O2a^ii—M3k—O2c^viii	81.6 (10)	O2f—M1k—O3f^ix	86.4 (6)
O2a^ii—M3k—O2c^ix	135.8 (6)	O2f^vi—M1k—O3f^ix	80.7 (6)
O2a^ii—M3k—O2c^ii	136.0 (7)	O1a—C1a—O1a^iv	109.3 (11)
O2a^ii—M3k—O1d	64.5 (5)	O1a—C1a—O2a	118.6 (12)
O2a^ii—M3k—O2d^viii	70.2 (5)	O1a—C1a—O2a^iv	25.2 (10)
O2a^ii—M3k—O2d^ix	138.9 (5)	O1a—C1a—O3a	122.1 (8)
O2a^ii—M3k—O3d^viii	87.4 (5)	O1a—C1a—O1e	139 (3)
O2a^ii—M3k—O3d^ii	152.1 (5)	O1a—C1a—O1e^iv	102 (3)
O2a^ii—M3k—O2e^i	14.3 (11)	O1a—C1a—O2e	31 (3)
O2a^ii—M3k—O2e^vii	99 (2)	O1a—C1a—O2e^iv	140 (3)
O2a^ii—M3k—O3e^ii	26.6 (16)	O1a—C1a—O3e	77 (4)
O2a^ii—M3k—O1f	56.3 (5)	O1a—C1a—O3e^iv	36 (4)
O2a^ii—M3k—O1f^ii	140.0 (5)	O1a^iv—C1a—O2a	25.2 (10)
O2a^ii—M3k—O2f^ix	125.4 (5)	O1a^iv—C1a—O2a^iv	118.6 (12)
O2a^ii—M3k—O3f^viii	77.9 (5)	O1a^iv—C1a—O3a	122.1 (8)
O2a^ii—M3k—O3f^ii	146.7 (4)	O1a^iv—C1a—O1e	102 (3)
O1b^i—M3k—O2b^ii	5.6 (5)	O1a^iv—C1a—O1e^iv	139 (3)
O1b^i—M3k—O1c	145.2 (9)	O1a^iv—C1a—O2e	140 (3)
O1b^i—M3k—O1c^ii	76.7 (8)	O1a^iv—C1a—O2e^iv	31 (3)
O1b^i—M3k—O2c^viii	97.6 (9)	O1a^iv—C1a—O3e	36 (4)
O1b^i—M3k—O2c^ix	130.4 (7)	O1a^iv—C1a—O3e^iv	77 (4)
O1b^i—M3k—O2c^ii	60.5 (7)	O2a—C1a—O2a^iv	116.0 (11)
O1b^i—M3k—O1d	140.4 (5)	O2a—C1a—O3a	119.3 (8)
O1b^i—M3k—O2d^viii	114.3 (5)	O2a—C1a—O1e	101 (3)
O1b^i—M3k—O2d^ix	135.8 (6)	O2a—C1a—O1e^iv	139 (3)
O1b^i—M3k—O3d^viii	77.6 (6)	O2a—C1a—O2e	147 (2)
O1b^i—M3k—O3d^ii	74.2 (6)	O2a—C1a—O2e^iv	31 (2)
O1b^i—M3k—O2e^i	76.0 (14)	O2a—C1a—O3e	58 (4)
O1b^i—M3k—O2e^vii	97.3 (15)	O2a—C1a—O3e^iv	95 (4)
O1b^i—M3k—O3e^ii	71.9 (12)	O2a^iv—C1a—O3a	119.3 (8)
O1b^i—M3k—O1f	138.6 (5)	O2a^iv—C1a—O1e	139 (3)
O1b^i—M3k—O1f^ii	61.3 (5)	O2a^iv—C1a—O1e^iv	101 (3)
O1b^i—M3k—O2f^ix	147.4 (5)	O2a^iv—C1a—O2e	31 (2)
O1b^i—M3k—O3f^viii	80.6 (6)	O2a^iv—C1a—O2e^iv	147 (2)
O1b^i—M3k—O3f^ii	72.9 (5)	O2a^iv—C1a—O3e	95 (4)
O2b^ii—M3k—O1c	139.9 (10)	O2a^iv—C1a—O3e^iv	58 (4)
O2b^ii—M3k—O1c^ii	81.7 (9)	O3a—C1a—O1e	20 (3)
O2b^ii—M3k—O2c^viii	98.0 (9)	O3a—C1a—O1e^iv	20 (3)
O2b^ii—M3k—O2c^ix	134.4 (8)	O3a—C1a—O2e	93 (2)
O2b^ii—M3k—O2c^ii	66.0 (7)	O3a—C1a—O2e^iv	93 (2)
O2b^ii—M3k—O1d	135.2 (6)	O3a—C1a—O3e	135 (2)
O2b^ii—M3k—O2d^viii	113.2 (6)	O3a—C1a—O3e^iv	135 (2)
O2b^ii—M3k—O2d^ix	141.3 (6)	O1e—C1a—O1e^iv	38 (4)
O2b^ii—M3k—O3d^viii	78.8 (6)	O1e—C1a—O2e	112 (4)
O2b^ii—M3k—O3d^ii	79.8 (7)	O1e—C1a—O2e^iv	73 (4)
O2b^ii—M3k—O2e^i	70.9 (14)	O1e—C1a—O3e	120 (5)
O2b^ii—M3k—O2e^vii	96.6 (15)	O1e—C1a—O3e^iv	137 (5)
O2b^ii—M3k—O3e^ii	66.3 (12)	O1e^iv—C1a—O2e	73 (4)
O2b^ii—M3k—O1f	133.0 (6)	O1e^iv—C1a—O2e^iv	112 (4)
O2b^ii—M3k—O1f^ii	65.9 (6)	O1e^iv—C1a—O3e	137 (5)
O2b^ii—M3k—O2f^ix	153.1 (6)	O1e^iv—C1a—O3e^iv	120 (5)
O2b^ii—M3k—O3f^viii	80.9 (6)	O2e—C1a—O2e^iv	169 (6)
O2b^ii—M3k—O3f^ii	78.4 (5)	O2e—C1a—O3e	106 (6)
O1c—M3k—O1c^ii	137.7 (11)	O2e—C1a—O3e^iv	64 (6)
O1c—M3k—O2c^viii	74.0 (11)	O2e^iv—C1a—O3e	64 (6)
O1c—M3k—O2c^ix	82.8 (10)	O2e^iv—C1a—O3e^iv	106 (6)
O1c—M3k—O2c^ii	143.2 (11)	O3e—C1a—O3e^iv	42 (6)
O1c—M3k—O1d	28.3 (9)	O1b—C1b—O1b^iv	121.1 (13)
O1c—M3k—O2d^viii	52.0 (9)	O1b—C1b—O2b	118.6 (13)
O1c—M3k—O2d^ix	78.8 (10)	O1b—C1b—O2b^iv	16.0 (13)
O1c—M3k—O3d^viii	94.7 (9)	O1b—C1b—O3b	122.1 (11)
O1c—M3k—O3d^ii	135.4 (10)	O1b—C1b—O3b^iv	113.9 (11)
O1c—M3k—O2e^i	69.2 (16)	O1b^iv—C1b—O2b	16.0 (13)
O1c—M3k—O2e^vii	93.1 (18)	O1b^iv—C1b—O2b^iv	118.6 (13)
O1c—M3k—O3e^ii	78.0 (16)	O1b^iv—C1b—O3b	113.9 (11)
O1c—M3k—O1f	18.7 (9)	O1b^iv—C1b—O3b^iv	122.1 (11)
O1c—M3k—O1f^ii	151.4 (9)	O2b—C1b—O2b^iv	111.6 (12)
O1c—M3k—O2f^ix	65.5 (10)	O2b—C1b—O3b	119.3 (11)
O1c—M3k—O3f^viii	86.9 (9)	O2b—C1b—O3b^iv	127.5 (11)
O1c—M3k—O3f^ii	134.1 (9)	O2b^iv—C1b—O3b	127.5 (11)
O1c^ii—M3k—O2c^viii	115.4 (12)	O2b^iv—C1b—O3b^iv	119.3 (11)
O1c^ii—M3k—O2c^ix	55.2 (9)	O3b—C1b—O3b^iv	8.3 (10)
O1c^ii—M3k—O2c^ii	43.9 (10)	O1c—C1c—O2c	119 (3)
O1c^ii—M3k—O1d	122.6 (8)	O1c—C1c—O3c	122 (3)
O1c^ii—M3k—O2d^viii	131.2 (9)	O1c—C1c—O1d	67 (2)
O1c^ii—M3k—O2d^ix	60.7 (9)	O1c—C1c—O2d	162 (2)
O1c^ii—M3k—O3d^viii	103.2 (8)	O1c—C1c—O3d	67 (2)
O1c^ii—M3k—O3d^ii	33.4 (9)	O1c—C1c—O1f	40.8 (19)
O1c^ii—M3k—O2e^i	152.4 (16)	O1c—C1c—O2f	142 (3)
O1c^ii—M3k—O2e^vii	69 (2)	O1c—C1c—O3f	90 (2)
O1c^ii—M3k—O3e^ii	130.5 (18)	O2c—C1c—O3c	119 (2)
O1c^ii—M3k—O1f	133.9 (8)	O2c—C1c—O1d	172 (3)
O1c^ii—M3k—O1f^ii	17.0 (9)	O2c—C1c—O2d	60.2 (19)
O1c^ii—M3k—O2f^ix	75.8 (9)	O2c—C1c—O3d	52.1 (18)
O1c^ii—M3k—O3f^viii	113.2 (9)	O2c—C1c—O1f	151 (3)
O1c^ii—M3k—O3f^ii	39.4 (8)	O2c—C1c—O2f	88 (2)
O2c^viii—M3k—O2c^ix	112.3 (11)	O2c—C1c—O3f	31.0 (17)
O2c^viii—M3k—O2c^ii	76.9 (11)	O3c—C1c—O1d	55 (2)
O2c^viii—M3k—O1d	102.3 (9)	O3c—C1c—O2d	62 (2)
O2c^viii—M3k—O2d^viii	22.1 (9)	O3c—C1c—O3d	171 (2)
O2c^viii—M3k—O2d^ix	90.7 (10)	O3c—C1c—O1f	86 (2)
O2c^viii—M3k—O3d^viii	21.4 (9)	O3c—C1c—O2f	41 (2)
O2c^viii—M3k—O3d^ii	82.5 (10)	O3c—C1c—O3f	145 (2)
O2c^viii—M3k—O2e^i	73 (2)	O1d—C1c—O2d	116 (2)
O2c^viii—M3k—O2e^vii	165.1 (16)	O1d—C1c—O3d	133 (2)
O2c^viii—M3k—O3e^ii	105.9 (18)	O1d—C1c—O1f	31.4 (15)
O2c^viii—M3k—O1f	91.8 (9)	O1d—C1c—O2f	90.3 (18)
O2c^viii—M3k—O1f^ii	121.7 (9)	O1d—C1c—O3f	157 (2)
O2c^viii—M3k—O2f^ix	79.0 (10)	O2d—C1c—O3d	110.3 (19)
O2c^viii—M3k—O3f^viii	17.2 (9)	O2d—C1c—O1f	147 (2)
O2c^viii—M3k—O3f^ii	76.8 (9)	O2d—C1c—O2f	28.4 (13)
O2c^ix—M3k—O2c^ii	88.1 (8)	O2d—C1c—O3f	83.4 (16)
O2c^ix—M3k—O1d	71.5 (7)	O3d—C1c—O1f	102 (2)
O2c^ix—M3k—O2d^viii	106.8 (7)	O3d—C1c—O2f	133 (2)
O2c^ix—M3k—O2d^ix	21.9 (8)	O3d—C1c—O3f	27.9 (13)
O2c^ix—M3k—O3d^viii	121.2 (8)	O1f—C1c—O2f	122 (2)
O2c^ix—M3k—O3d^ii	71.8 (7)	O1f—C1c—O3f	129 (2)
O2c^ix—M3k—O2e^i	149.3 (12)	O2f—C1c—O3f	105.3 (17)
O2c^ix—M3k—O2e^vii	57.6 (19)	O1c—C1d—O2c	117 (2)
O2c^ix—M3k—O3e^ii	130.0 (12)	O1c—C1d—O3c	114 (2)
O2c^ix—M3k—O1f	80.7 (7)	O1c—C1d—O1d	60.9 (17)
O2c^ix—M3k—O1f^ii	69.3 (7)	O1c—C1d—O2d	168 (2)
O2c^ix—M3k—O2f^ix	34.2 (8)	O1c—C1d—O3d	62.9 (18)
O2c^ix—M3k—O3f^viii	126.4 (8)	O1c—C1d—O1f	36.7 (17)
O2c^ix—M3k—O3f^ii	76.5 (7)	O1c—C1d—O2f	141.1 (19)
O2c^ii—M3k—O1d	157.8 (8)	O1c—C1d—O3f	87.9 (17)
O2c^ii—M3k—O2d^viii	97.9 (8)	O2c—C1d—O3c	128 (2)
O2c^ii—M3k—O2d^ix	79.6 (8)	O2c—C1d—O1d	166 (2)
O2c^ii—M3k—O3d^viii	60.3 (8)	O2c—C1d—O2d	66.8 (19)
O2c^ii—M3k—O3d^ii	16.3 (8)	O2c—C1d—O3d	53.9 (17)
O2c^ii—M3k—O2e^i	121.9 (12)	O2c—C1d—O1f	143 (2)
O2c^ii—M3k—O2e^vii	112 (2)	O2c—C1d—O2f	97.1 (19)
O2c^ii—M3k—O3e^ii	132.1 (12)	O2c—C1d—O3f	32.9 (17)
O2c^ii—M3k—O1f	159.8 (8)	O3c—C1d—O1d	53.1 (18)
O2c^ii—M3k—O1f^ii	45.0 (8)	O3c—C1d—O2d	65.9 (19)
O2c^ii—M3k—O2f^ix	87.4 (7)	O3c—C1d—O3d	170 (2)
O2c^ii—M3k—O3f^viii	70.2 (8)	O3c—C1d—O1f	80.0 (18)
O2c^ii—M3k—O3f^ii	12.7 (7)	O3c—C1d—O2f	43.0 (19)
O1d—M3k—O2d^viii	80.3 (6)	O3c—C1d—O3f	157.7 (19)
O1d—M3k—O2d^ix	78.1 (6)	O1d—C1d—O2d	118.6 (15)
O1d—M3k—O3d^viii	122.9 (6)	O1d—C1d—O3d	122.1 (15)
O1d—M3k—O3d^ii	141.9 (7)	O1d—C1d—O1f	28.2 (13)
O1d—M3k—O2e^i	77.8 (11)	O1d—C1d—O2f	90.8 (14)
O1d—M3k—O2e^vii	65.0 (17)	O1d—C1d—O3f	148.9 (14)
O1d—M3k—O3e^ii	69.9 (11)	O2d—C1d—O3d	119.3 (16)
O1d—M3k—O1f	12.0 (6)	O2d—C1d—O1f	145.9 (16)
O1d—M3k—O1f^ii	129.2 (6)	O2d—C1d—O2f	31.1 (13)
O1d—M3k—O2f^ix	70.8 (6)	O2d—C1d—O3f	91.8 (14)
O1d—M3k—O3f^viii	114.7 (6)	O3d—C1d—O1f	94.2 (14)
O1d—M3k—O3f^ii	145.0 (6)	O3d—C1d—O2f	145.1 (16)
O2d^viii—M3k—O2d^ix	87.9 (7)	O3d—C1d—O3f	28.9 (13)
O2d^viii—M3k—O3d^viii	42.8 (5)	O1f—C1d—O2f	118.9 (15)
O2d^viii—M3k—O3d^ii	100.9 (6)	O1f—C1d—O3f	122.3 (14)
O2d^viii—M3k—O2e^i	65.7 (19)	O2f—C1d—O3f	116.3 (14)
O2d^viii—M3k—O2e^vii	144.7 (16)	O1a—C1e—O1a^iv	110 (2)
O2d^viii—M3k—O3e^ii	96.7 (17)	O1a—C1e—O2a	109.9 (19)
O2d^viii—M3k—O1f	69.8 (6)	O1a—C1e—O2a^iv	25.7 (12)
O2d^viii—M3k—O1f^ii	141.6 (5)	O1a—C1e—O3a	134 (2)
O2d^viii—M3k—O2f^ix	73.0 (6)	O1a—C1e—O1e	153 (4)
O2d^viii—M3k—O3f^viii	35.9 (5)	O1a—C1e—O1e^iv	116 (4)
O2d^viii—M3k—O3f^ii	95.8 (5)	O1a—C1e—O2e	35 (3)
O2d^ix—M3k—O3d^viii	99.9 (7)	O1a—C1e—O2e^iv	136 (3)
O2d^ix—M3k—O3d^ii	64.0 (7)	O1a—C1e—O3e	85 (4)
O2d^ix—M3k—O2e^i	146.8 (16)	O1a—C1e—O3e^iv	42 (5)
O2d^ix—M3k—O2e^vii	79.4 (19)	O1a^iv—C1e—O2a	21.4 (9)
O2d^ix—M3k—O3e^ii	146.3 (11)	O1a^iv—C1e—O2a^iv	109.7 (19)
O2d^ix—M3k—O1f	83.9 (6)	O1a^iv—C1e—O3a	112.4 (17)
O2d^ix—M3k—O1f^ii	77.4 (6)	O1a^iv—C1e—O1e	94 (3)
O2d^ix—M3k—O2f^ix	15.8 (7)	O1a^iv—C1e—O1e^iv	132 (4)
O2d^ix—M3k—O3f^viii	104.5 (7)	O1a^iv—C1e—O2e	142 (3)
O2d^ix—M3k—O3f^ii	66.9 (6)	O1a^iv—C1e—O2e^iv	27 (3)
O3d^viii—M3k—O3d^ii	70.1 (6)	O1a^iv—C1e—O3e	35 (4)
O3d^viii—M3k—O2e^i	74.9 (16)	O1a^iv—C1e—O3e^iv	79 (5)
O3d^viii—M3k—O2e^vii	171.9 (18)	O2a—C1e—O2a^iv	100.3 (17)
O3d^viii—M3k—O3e^ii	106.1 (14)	O2a—C1e—O3a	102.6 (16)
O3d^viii—M3k—O1f	111.8 (6)	O2a—C1e—O1e	87 (3)
O3d^viii—M3k—O1f^ii	104.7 (5)	O2a—C1e—O1e^iv	121 (4)
O3d^viii—M3k—O2f^ix	92.0 (6)	O2a—C1e—O2e	133 (3)
O3d^viii—M3k—O3f^viii	10.1 (5)	O2a—C1e—O2e^iv	27.3 (19)
O3d^viii—M3k—O3f^ii	63.9 (5)	O2a—C1e—O3e	53 (4)
O3d^ii—M3k—O2e^i	137.8 (12)	O2a—C1e—O3e^iv	91 (5)
O3d^ii—M3k—O2e^vii	103 (2)	O2a^iv—C1e—O3a	118 (2)
O3d^ii—M3k—O3e^ii	145.8 (13)	O2a^iv—C1e—O1e	133 (4)
O3d^ii—M3k—O1f	147.1 (7)	O2a^iv—C1e—O1e^iv	105 (4)
O3d^ii—M3k—O1f^ii	40.8 (6)	O2a^iv—C1e—O2e	33 (2)
O3d^ii—M3k—O2f^ix	73.2 (7)	O2a^iv—C1e—O2e^iv	127 (3)
O3d^ii—M3k—O3f^viii	80.1 (6)	O2a^iv—C1e—O3e	98 (4)
O3d^ii—M3k—O3f^ii	6.2 (5)	O2a^iv—C1e—O3e^iv	63 (4)
O2e^i—M3k—O2e^vii	110 (3)	O3a—C1e—O1e	19 (3)
O2e^i—M3k—O3e^ii	33 (2)	O3a—C1e—O1e^iv	20 (3)
O2e^i—M3k—O1f	68.7 (11)	O3a—C1e—O2e	99 (4)
O2e^i—M3k—O1f^ii	135.8 (16)	O3a—C1e—O2e^iv	85 (3)
O2e^i—M3k—O2f^ix	131.4 (17)	O3a—C1e—O3e	141 (4)
O2e^i—M3k—O3f^viii	66.0 (16)	O3a—C1e—O3e^iv	166 (4)
O2e^i—M3k—O3f^ii	132.4 (11)	O1e—C1e—O1e^iv	38 (4)
O2e^vii—M3k—O3e^ii	78 (2)	O1e—C1e—O2e	119 (5)
O2e^vii—M3k—O1f	76.2 (18)	O1e—C1e—O2e^iv	67 (4)
O2e^vii—M3k—O1f^ii	67.1 (19)	O1e—C1e—O3e	122 (5)
O2e^vii—M3k—O2f^ix	89.1 (17)	O1e—C1e—O3e^iv	163 (6)
O2e^vii—M3k—O3f^viii	176 (2)	O1e^iv—C1e—O2e	81 (5)
O2e^vii—M3k—O3f^ii	109 (2)	O1e^iv—C1e—O2e^iv	104 (4)
O3e^ii—M3k—O1f	66.8 (12)	O1e^iv—C1e—O3e	158 (5)
O3e^ii—M3k—O1f^ii	115.2 (16)	O1e^iv—C1e—O3e^iv	148 (6)
O3e^ii—M3k—O2f^ix	140.5 (12)	O2e—C1e—O2e^iv	159 (5)
O3e^ii—M3k—O3f^viii	98.3 (14)	O2e—C1e—O3e	119 (6)
O3e^ii—M3k—O3f^ii	144.7 (12)	O2e—C1e—O3e^iv	74 (6)
O1f—M3k—O1f^ii	141.2 (6)	O2e^iv—C1e—O3e	60 (5)
O1f—M3k—O2f^ix	73.9 (6)	O2e^iv—C1e—O3e^iv	106 (6)
O1f—M3k—O3f^viii	103.1 (6)	O3e—C1e—O3e^iv	46 (6)
O1f—M3k—O3f^ii	148.2 (6)	O1c—C1f—O2c	116 (2)
O1f^ii—M3k—O2f^ix	92.7 (6)	O1c—C1f—O3c	113 (2)
O1f^ii—M3k—O3f^viii	114.3 (5)	O1c—C1f—O1d	61.2 (17)
O1f^ii—M3k—O3f^ii	45.8 (5)	O1c—C1f—O2d	178 (2)
O2f^ix—M3k—O3f^viii	94.6 (7)	O1c—C1f—O3d	63.6 (18)
O2f^ix—M3k—O3f^ii	74.8 (5)	O1c—C1f—O1f	37.0 (16)
O3f^viii—M3k—O3f^ii	74.0 (5)	O1c—C1f—O2f	146.7 (19)
O3a^iii—M1ca—O1b^v	98.4 (4)	O1c—C1f—O3f	89.8 (18)
O3a^iii—M1ca—O3b^iii	72.8 (4)	O2c—C1f—O3c	123 (2)
O3a^iii—M1ca—O3b^vii	70.5 (4)	O2c—C1f—O1d	154 (2)
O3a^iii—M1ca—O3c	85.7 (10)	O2c—C1f—O2d	65.7 (18)
O3a^iii—M1ca—O3c^vi	133.4 (9)	O2c—C1f—O3d	53.3 (17)
O3a^iii—M1ca—O1d	68.4 (6)	O2c—C1f—O1f	136 (2)
O3a^iii—M1ca—O2d^vi	161.8 (7)	O2c—C1f—O2f	96.6 (18)
O3a^iii—M1ca—O3d^ix	118.3 (5)	O2c—C1f—O3f	33.1 (17)
O3a^iii—M1ca—O1e^iii	7.6 (15)	O3c—C1f—O1d	52.1 (17)
O3a^iii—M1ca—O2f	107.8 (6)	O3c—C1f—O2d	64.7 (18)
O3a^iii—M1ca—O2f^vi	147.8 (6)	O3c—C1f—O3d	159.3 (19)
O3a^iii—M1ca—O3f^ix	103.6 (5)	O3c—C1f—O1f	77.9 (18)
O1b^v—M1ca—O3b^iii	70.2 (5)	O3c—C1f—O2f	42.8 (18)
O1b^v—M1ca—O3b^vii	69.8 (5)	O3c—C1f—O3f	155.2 (17)
O1b^v—M1ca—O3c	77.8 (10)	O1d—C1f—O2d	116.7 (15)
O1b^v—M1ca—O3c^vi	70.9 (8)	O1d—C1f—O3d	120.8 (14)
O1b^v—M1ca—O1d	99.3 (6)	O1d—C1f—O1f	27.8 (13)
O1b^v—M1ca—O2d^vi	84.9 (6)	O1d—C1f—O2f	90.9 (14)
O1b^v—M1ca—O3d^ix	142.5 (6)	O1d—C1f—O3f	149.8 (14)
O1b^v—M1ca—O1e^iii	105.9 (16)	O2d—C1f—O3d	118.5 (15)
O1b^v—M1ca—O2f	78.4 (6)	O2d—C1f—O1f	141.2 (15)
O1b^v—M1ca—O2f^vi	85.4 (6)	O2d—C1f—O2f	31.3 (13)
O1b^v—M1ca—O3f^ix	156.2 (5)	O2d—C1f—O3f	92.3 (14)
O3b^iii—M1ca—O3b^vii	2.5 (5)	O3d—C1f—O1f	93.0 (14)
O3b^iii—M1ca—O3c	137.6 (11)	O3d—C1f—O2f	148.0 (15)
O3b^iii—M1ca—O3c^vi	60.8 (9)	O3d—C1f—O3f	29.2 (13)
O3b^iii—M1ca—O1d	137.7 (6)	O1f—C1f—O2f	118.6 (14)
O3b^iii—M1ca—O2d^vi	91.8 (6)	O1f—C1f—O3f	122.1 (13)
O3b^iii—M1ca—O3d^ix	125.8 (6)	O2f—C1f—O3f	119.3 (14)
O3b^iii—M1ca—O1e^iii	77.1 (19)

Symmetry codes: (i) x−1/2, −y+1/2, −z+1/2; (ii) x−1/2, y, −z+1/2; (iii) x−1, y, z; (iv) x, −y+1/2, z; (v) x−1/2, −y+1/2, −z+3/2; (vi) x−1/2, y, −z+3/2; (vii) x−1, −y+1/2, z; (viii) −x+1/2, −y+1, z−1/2; (ix) −x, −y+1, −z+1.

(II)

Crystal data

C4Ca2.818824K2Mg0.181176O12	F(000) = 866
Mr = 435.6	Dx = 2.73 Mg m^−3
Orthorhombic, Pnma	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P -2xabc;-2yb;-2zac	Cell parameters from 11053 reflections
a = 7.5404 (3) Å	θ = 2.4–24.9°
b = 16.0962 (6) Å	µ = 2.34 mm^−1
c = 8.7321 (3) Å	T = 293 K
V = 1059.83 (7) Å^3	Plate
Z = 4	0.10 × 0.08 × 0.04 mm

Data collection

Esperanto-CrysAlisPro-abstract goniometer imported esperanto images diffractometer	976 independent reflections
Radiation source: X-ray tube	641 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.087
ω scans	θmax = 25.1°, θmin = 2.5°
Absorption correction: multi-scan CrysAlisPro 1.171.41.116a (Rigaku Oxford Diffraction, 2021) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	h = −8→8
Tmin = 0.935, Tmax = 1	k = −19→19
25637 measured reflections	l = −10→10

Refinement

Refinement on F^2	0 restraints
R[F^2 > 2σ(F^2)] = 0.053	3 constraints
wR(F^2) = 0.140	Weighting scheme based on measured s.u.'s w = 1/(σ^2(I) + 0.0004I^2)
S = 0.96	(Δ/σ)max = 0.007
976 reflections	Δρmax = 0.65 e Å^−3
73 parameters	Δρmin = −0.36 e Å^−3

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
M2ca	0.1821 (3)	0.25	0.4798 (2)	0.0394 (6)	0.900 (16)
M2mg	0.1821 (3)	0.25	0.4798 (2)	0.0394 (6)	0.100 (16)
M3ca	−0.00768 (16)	0.41399 (8)	0.18610 (15)	0.0417 (4)	0.5
M3k	−0.00768 (16)	0.41399 (8)	0.18610 (15)	0.0417 (4)	0.5
M1ca	−0.18887 (18)	0.37721 (8)	0.64924 (15)	0.0430 (5)	0.460 (11)
M1k	−0.18887 (18)	0.37721 (8)	0.64924 (15)	0.0430 (5)	0.500 (16)
M1mg	−0.18887 (18)	0.37721 (8)	0.64924 (15)	0.0430 (5)	0.040 (11)
C1a	0.183 (3)	0.4506 (13)	0.545 (2)	0.0382 (11)*	0.156 (7)
O1a	0.191 (5)	0.441 (2)	0.404 (3)	0.0636 (18)*	0.156 (7)
O2a	0.275 (5)	0.506 (2)	0.610 (3)	0.0652 (19)*	0.156 (7)
O3a	0.081 (4)	0.407 (3)	0.628 (4)	0.0642 (14)*	0.156 (7)
C1b	0.1957 (14)	0.4525 (7)	0.5512 (11)	0.0382 (11)*	0.308 (12)
O1b	0.104 (3)	0.3956 (15)	0.497 (2)	0.0636 (18)*	0.308 (12)
O2b	0.182 (3)	0.4713 (16)	0.692 (2)	0.0652 (19)*	0.308 (12)
O3b	0.307 (2)	0.4925 (15)	0.471 (2)	0.0642 (14)*	0.308 (12)
C1c	0.1790 (11)	0.4582 (5)	0.5478 (8)	0.0382 (11)*	0.537 (14)
O1c	0.151 (3)	0.4033 (13)	0.4509 (17)	0.0636 (18)*	0.537 (14)
O2c	0.091 (3)	0.4588 (13)	0.6717 (17)	0.0652 (19)*	0.537 (14)
O3c	0.2963 (19)	0.5139 (11)	0.529 (2)	0.0642 (14)*	0.537 (14)
C1d	0.7998 (11)	0.25	0.3483 (9)	0.0382 (11)*	0.743 (11)
O1d	0.734 (2)	0.1865 (6)	0.2915 (17)	0.0636 (18)*	0.372 (6)
O2d	0.795 (2)	0.3182 (6)	0.2751 (17)	0.0652 (19)*	0.372 (6)
O3d	0.8702 (18)	0.25	0.4805 (13)	0.0642 (14)*	0.743 (11)
C1e	0.775 (3)	0.2472 (14)	0.354 (2)	0.0382 (11)*	0.128 (6)
O1e	0.87 (2)	0.293 (8)	0.431 (4)	0.0636 (18)*	0.128 (6)
O2e	0.79 (3)	0.169 (9)	0.360 (5)	0.0652 (19)*	0.128 (6)
O3e	0.651 (12)	0.276 (13)	0.270 (4)	0.0642 (14)*	0.128 (6)
C1f	0.5164 (9)	0.25	0.6373 (7)	0.0382 (11)*
O1f	0.447 (3)	0.1831 (8)	0.600 (2)	0.0636 (18)*	0.5
O2f	0.482 (3)	0.3156 (8)	0.562 (2)	0.0652 (19)*	0.5
O3f	0.620 (2)	0.2560 (10)	0.7517 (14)	0.0642 (14)*	0.5

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
M2ca	0.0425 (11)	0.0367 (11)	0.0391 (11)	0	0.0025 (9)	0
M2mg	0.0425 (11)	0.0367 (11)	0.0391 (11)	0	0.0025 (9)	0
M3ca	0.0371 (7)	0.0382 (7)	0.0499 (8)	0.0032 (6)	0.0042 (6)	0.0071 (6)
M3k	0.0371 (7)	0.0382 (7)	0.0499 (8)	0.0032 (6)	0.0042 (6)	0.0071 (6)
M1ca	0.0460 (8)	0.0359 (8)	0.0470 (9)	0.0059 (6)	0.0021 (6)	−0.0007 (6)
M1k	0.0460 (8)	0.0359 (8)	0.0470 (9)	0.0059 (6)	0.0021 (6)	−0.0007 (6)
M1mg	0.0460 (8)	0.0359 (8)	0.0470 (9)	0.0059 (6)	0.0021 (6)	−0.0007 (6)

Geometric parameters (Å, º)

M2ca—O1b	2.42 (2)	M1k—O2a^ix	3.01 (3)
M2ca—O1b^i	2.42 (2)	M1k—O2a^vii	2.97 (3)
M2ca—O1c	2.49 (2)	M1k—O3a	2.10 (3)
M2ca—O1c^i	2.49 (2)	M1k—O3a^vii	2.65 (3)
M2ca—O1d^ii	2.609 (15)	M1k—O1b	2.59 (2)
M2ca—O1d^iii	2.609 (15)	M1k—O2b	3.20 (2)
M2ca—O2d^ii	2.624 (14)	M1k—O2b^vii	2.27 (2)
M2ca—O2d^iii	2.624 (14)	M1k—O3b^ix	2.51 (2)
M2ca—O3d^iv	2.352 (14)	M1k—O1c	3.125 (19)
M2ca—O1e^iv	2.48 (18)	M1k—O2c	2.49 (2)
M2ca—O1e^v	2.48 (18)	M1k—O2c^vii	2.633 (19)
M2ca—O3e^ii	2.23 (5)	M1k—O3c^ix	2.481 (18)
M2ca—O3e^iii	2.23 (5)	M1k—O3d^iv	2.562 (7)
M2ca—O1f	2.501 (19)	M1k—O1e^iv	2.39 (8)
M2ca—O1f^i	2.501 (19)	M1k—O2e^v	2.64 (6)
M2ca—O2f	2.60 (2)	M1k—O1f^vi	2.608 (19)
M2ca—O2f^i	2.60 (2)	M1k—O1f^v	2.94 (2)
M2ca—O3f^vi	2.394 (12)	M1k—O2f^iv	2.78 (2)
M2ca—O3f^vii	2.394 (12)	M1k—O2f^vii	2.999 (19)
M2mg—O3d^iv	2.352 (14)	M1k—O3f^iv	2.586 (16)
M2mg—O3e^ii	2.23 (5)	M1k—O3f^vi	3.280 (16)
M2mg—O3e^iii	2.23 (5)	M1k—O3f^vii	3.157 (16)
M2mg—O3f^vi	2.394 (12)	M1k—O3f^v	2.735 (16)
M2mg—O3f^vii	2.394 (12)	M1mg—O3a	2.10 (3)
M3ca—O1a	2.46 (3)	M1mg—O2b^vii	2.27 (2)
M3ca—O1a^iii	2.44 (4)	M1mg—O1e^iv	2.39 (8)
M3ca—O2a^viii	2.27 (4)	C1a—O1a	1.24 (3)
M3ca—O2b^ix	2.51 (2)	C1a—O2a	1.27 (4)
M3ca—O3b^iii	2.33 (2)	C1a—O3a	1.27 (4)
M3ca—O1c	2.610 (16)	C1a—O1b	1.14 (3)
M3ca—O2c^ix	2.48 (2)	C1a—O2b	1.33 (3)
M3ca—O3c^viii	2.402 (16)	C1a—O3b	1.33 (3)
M3ca—O1d^ii	2.443 (13)	C1a—O1c	1.14 (3)
M3ca—O1d^v	2.696 (14)	C1a—O2c	1.31 (3)
M3ca—O2d^iv	2.278 (13)	C1a—O3c	1.34 (3)
M3ca—O2d^iii	2.777 (14)	C1b—O1a	1.30 (3)
M3ca—O2e^ii	2.67 (19)	C1b—O2a	1.17 (4)
M3ca—O2e^v	2.51 (14)	C1b—O3a	1.32 (4)
M3ca—O3e^iii	2.56 (18)	C1b—O1b	1.24 (3)
M3ca—O2f^iii	2.685 (17)	C1b—O2b	1.27 (2)
M3k—O1a	2.46 (3)	C1b—O3b	1.27 (2)
M3k—O1a^iii	2.44 (4)	C1b—O1c	1.23 (2)
M3k—O2a^viii	2.27 (4)	C1b—O2c	1.32 (2)
M3k—O2a^ix	2.98 (4)	C1b—O3c	1.26 (2)
M3k—O1b	2.86 (2)	C1c—O1a	1.29 (3)
M3k—O2b^viii	3.07 (2)	C1c—O2a	1.19 (4)
M3k—O2b^ix	2.51 (2)	C1c—O3a	1.31 (4)
M3k—O3b^viii	2.85 (2)	C1c—O1b	1.24 (2)
M3k—O3b^iii	2.33 (2)	C1c—O2b	1.28 (2)
M3k—O1c	2.610 (16)	C1c—O3b	1.30 (2)
M3k—O1c^iii	2.84 (2)	C1c—O1c	1.241 (19)
M3k—O2c^ix	2.48 (2)	C1c—O2c	1.271 (18)
M3k—O3c^viii	2.402 (16)	C1c—O3c	1.270 (18)
M3k—O3c^iii	2.881 (17)	C1d—O1d	1.241 (13)
M3k—O1d^ii	2.443 (13)	C1d—O1d^i	1.241 (13)
M3k—O1d^v	2.696 (14)	C1d—O2d	1.271 (12)
M3k—O2d^iv	2.278 (13)	C1d—O2d^i	1.271 (12)
M3k—O2d^iii	2.777 (14)	C1d—O3d	1.270 (14)
M3k—O1e^iv	3.03 (10)	C1d—O1e	1.14 (12)
M3k—O2e^ii	2.67 (19)	C1d—O1e^i	1.14 (12)
M3k—O2e^v	2.51 (14)	C1d—O2e	1.31 (14)
M3k—O3e^ii	3.30 (19)	C1d—O2e^i	1.31 (14)
M3k—O3e^iii	2.56 (18)	C1d—O3e	1.38 (10)
M3k—O1f^ii	2.964 (18)	C1d—O3e^i	1.38 (10)
M3k—O2f^iii	2.685 (17)	C1e—O1d	1.16 (2)
M1ca—O3a	2.10 (3)	C1e—O1d^i	1.24 (2)
M1ca—O3a^vii	2.65 (3)	C1e—O2d	1.34 (2)
M1ca—O1b	2.59 (2)	C1e—O2d^i	1.27 (2)
M1ca—O2b^vii	2.27 (2)	C1e—O3d	1.32 (2)
M1ca—O3b^ix	2.51 (2)	C1e—O1e	1.24 (14)
M1ca—O2c	2.49 (2)	C1e—O1e^i	1.19 (14)
M1ca—O2c^vii	2.633 (19)	C1e—O2e	1.27 (15)
M1ca—O3c^ix	2.481 (18)	C1e—O2e^i	1.36 (15)
M1ca—O3d^iv	2.562 (7)	C1e—O3e	1.27 (10)
M1ca—O1e^iv	2.39 (8)	C1e—O3e^i	1.24 (10)
M1ca—O2e^v	2.64 (6)	C1f—O1f	1.241 (15)
M1ca—O1f^vi	2.608 (19)	C1f—O1f^i	1.241 (15)
M1ca—O2f^iv	2.78 (2)	C1f—O2f	1.271 (15)
M1ca—O3f^iv	2.586 (16)	C1f—O2f^i	1.271 (15)
M1ca—O3f^v	2.735 (16)	C1f—O3f	1.270 (15)
M1k—O1a^ix	2.96 (3)	C1f—O3f^i	1.270 (15)
O1b—M2ca—O1b^i	150.9 (8)	O3a—M1ca—O1e^iv	83 (4)
O1b—M2ca—O1c	12.9 (7)	O3a—M1ca—O2e^v	92 (4)
O1b—M2ca—O1c^i	160.5 (8)	O3a—M1ca—O1f^vi	77.1 (10)
O1b—M2ca—O1d^ii	73.4 (5)	O3a—M1ca—O2f^iv	157.5 (10)
O1b—M2ca—O1d^iii	118.2 (5)	O3a—M1ca—O3f^iv	138.0 (11)
O1b—M2ca—O2d^ii	122.5 (5)	O3a—M1ca—O3f^v	136.0 (11)
O1b—M2ca—O2d^iii	74.2 (5)	O3a^vii—M1ca—O1b	155.9 (9)
O1b—M2ca—O3d^iv	75.9 (6)	O3a^vii—M1ca—O2b^vii	32.0 (11)
O1b—M2ca—O1e^iv	61 (3)	O3a^vii—M1ca—O3b^ix	85.6 (9)
O1b—M2ca—O1e^v	93 (3)	O3a^vii—M1ca—O2c	113.7 (9)
O1b—M2ca—O3e^ii	102 (5)	O3a^vii—M1ca—O2c^vii	20.1 (10)
O1b—M2ca—O3e^iii	82 (5)	O3a^vii—M1ca—O3c^ix	96.8 (9)
O1b—M2ca—O1f	125.8 (6)	O3a^vii—M1ca—O3d^iv	132.8 (9)
O1b—M2ca—O1f^i	75.6 (7)	O3a^vii—M1ca—O1e^iv	145 (4)
O1b—M2ca—O2f	78.5 (7)	O3a^vii—M1ca—O2e^v	136 (4)
O1b—M2ca—O2f^i	126.0 (6)	O3a^vii—M1ca—O1f^vi	73.1 (8)
O1b—M2ca—O3f^vi	86.0 (6)	O3a^vii—M1ca—O2f^iv	71.3 (8)
O1b—M2ca—O3f^vii	81.5 (6)	O3a^vii—M1ca—O3f^iv	61.1 (9)
O1b^i—M2ca—O1c	160.5 (8)	O3a^vii—M1ca—O3f^v	63.6 (9)
O1b^i—M2ca—O1c^i	12.9 (7)	O1b—M1ca—O2b^vii	126.9 (8)
O1b^i—M2ca—O1d^ii	118.2 (5)	O1b—M1ca—O3b^ix	89.6 (7)
O1b^i—M2ca—O1d^iii	73.4 (5)	O1b—M1ca—O2c	42.2 (6)
O1b^i—M2ca—O2d^ii	74.2 (5)	O1b—M1ca—O2c^vii	141.7 (7)
O1b^i—M2ca—O2d^iii	122.5 (5)	O1b—M1ca—O3c^ix	82.9 (6)
O1b^i—M2ca—O3d^iv	75.9 (6)	O1b—M1ca—O3d^iv	69.4 (6)
O1b^i—M2ca—O1e^iv	93 (3)	O1b—M1ca—O1e^iv	59 (4)
O1b^i—M2ca—O1e^v	61 (3)	O1b—M1ca—O2e^v	65 (4)
O1b^i—M2ca—O3e^ii	82 (5)	O1b—M1ca—O1f^vi	97.9 (7)
O1b^i—M2ca—O3e^iii	102 (5)	O1b—M1ca—O2f^iv	131.4 (6)
O1b^i—M2ca—O1f	75.6 (7)	O1b—M1ca—O3f^iv	137.6 (6)
O1b^i—M2ca—O1f^i	125.8 (6)	O1b—M1ca—O3f^v	134.9 (6)
O1b^i—M2ca—O2f	126.0 (6)	O2b^vii—M1ca—O3b^ix	62.9 (7)
O1b^i—M2ca—O2f^i	78.5 (7)	O2b^vii—M1ca—O2c	87.9 (8)
O1b^i—M2ca—O3f^vi	81.5 (6)	O2b^vii—M1ca—O2c^vii	15.2 (8)
O1b^i—M2ca—O3f^vii	86.0 (6)	O2b^vii—M1ca—O3c^ix	76.8 (7)
O1c—M2ca—O1c^i	164.2 (6)	O2b^vii—M1ca—O3d^iv	163.4 (7)
O1c—M2ca—O1d^ii	62.2 (4)	O2b^vii—M1ca—O1e^iv	162 (4)
O1c—M2ca—O1d^iii	108.0 (4)	O2b^vii—M1ca—O2e^v	139 (4)
O1c—M2ca—O2d^ii	111.0 (4)	O2b^vii—M1ca—O1f^vi	84.5 (7)
O1c—M2ca—O2d^iii	62.0 (4)	O2b^vii—M1ca—O2f^iv	91.3 (7)
O1c—M2ca—O3d^iv	84.7 (5)	O2b^vii—M1ca—O3f^iv	93.0 (7)
O1c—M2ca—O1e^iv	68 (3)	O2b^vii—M1ca—O3f^v	95.6 (7)
O1c—M2ca—O1e^v	100 (3)	O3b^ix—M1ca—O2c	83.8 (6)
O1c—M2ca—O3e^ii	94 (5)	O3b^ix—M1ca—O2c^vii	66.8 (6)
O1c—M2ca—O3e^iii	73 (5)	O3b^ix—M1ca—O3c^ix	14.3 (6)
O1c—M2ca—O1f	122.9 (6)	O3b^ix—M1ca—O3d^iv	119.3 (5)
O1c—M2ca—O1f^i	71.9 (6)	O3b^ix—M1ca—O1e^iv	102 (3)
O1c—M2ca—O2f	72.9 (6)	O3b^ix—M1ca—O2e^v	79 (3)
O1c—M2ca—O2f^i	120.8 (6)	O3b^ix—M1ca—O1f^vi	143.3 (6)
O1c—M2ca—O3f^vi	97.0 (5)	O3b^ix—M1ca—O2f^iv	82.4 (5)
O1c—M2ca—O3f^vii	92.4 (5)	O3b^ix—M1ca—O3f^iv	125.3 (6)
O1c^i—M2ca—O1d^ii	108.0 (4)	O3b^ix—M1ca—O3f^v	127.2 (5)
O1c^i—M2ca—O1d^iii	62.2 (4)	O2c—M1ca—O2c^vii	103.0 (6)
O1c^i—M2ca—O2d^ii	62.0 (4)	O2c—M1ca—O3c^ix	87.3 (6)
O1c^i—M2ca—O2d^iii	111.0 (4)	O2c—M1ca—O3d^iv	108.6 (5)
O1c^i—M2ca—O3d^iv	84.7 (5)	O2c—M1ca—O1e^iv	101 (4)
O1c^i—M2ca—O1e^iv	100 (3)	O2c—M1ca—O2e^v	105 (4)
O1c^i—M2ca—O1e^v	68 (3)	O2c—M1ca—O1f^vi	78.3 (6)
O1c^i—M2ca—O3e^ii	73 (5)	O2c—M1ca—O2f^iv	164.9 (5)
O1c^i—M2ca—O3e^iii	94 (5)	O2c—M1ca—O3f^iv	147.4 (5)
O1c^i—M2ca—O1f	71.9 (6)	O2c—M1ca—O3f^v	146.5 (5)
O1c^i—M2ca—O1f^i	122.9 (6)	O2c^vii—M1ca—O3c^ix	79.3 (5)
O1c^i—M2ca—O2f	120.8 (6)	O2c^vii—M1ca—O3d^iv	148.2 (5)
O1c^i—M2ca—O2f^i	72.9 (6)	O2c^vii—M1ca—O1e^iv	152 (4)
O1c^i—M2ca—O3f^vi	92.4 (5)	O2c^vii—M1ca—O2e^v	133 (4)
O1c^i—M2ca—O3f^vii	97.0 (5)	O2c^vii—M1ca—O1f^vi	86.3 (5)
O1d^ii—M2ca—O1d^iii	46.1 (3)	O2c^vii—M1ca—O2f^iv	77.1 (6)
O1d^ii—M2ca—O2d^ii	49.1 (3)	O2c^vii—M1ca—O3f^iv	79.5 (6)
O1d^ii—M2ca—O2d^iii	10.8 (5)	O2c^vii—M1ca—O3f^v	82.2 (6)
O1d^ii—M2ca—O3d^iv	98.7 (4)	O3c^ix—M1ca—O3d^iv	105.1 (5)
O1d^ii—M2ca—O1e^iv	82.7 (18)	O3c^ix—M1ca—O1e^iv	88 (3)
O1d^ii—M2ca—O1e^v	95.3 (14)	O3c^ix—M1ca—O2e^v	65 (3)
O1d^ii—M2ca—O3e^ii	37 (5)	O3c^ix—M1ca—O1f^vi	156.8 (5)
O1d^ii—M2ca—O3e^iii	19 (4)	O3c^ix—M1ca—O2f^iv	77.8 (5)
O1d^ii—M2ca—O1f	115.4 (6)	O3c^ix—M1ca—O3f^iv	124.6 (5)
O1d^ii—M2ca—O1f^i	95.3 (5)	O3c^ix—M1ca—O3f^v	125.9 (5)
O1d^ii—M2ca—O2f	87.8 (5)	O3d^iv—M1ca—O1e^iv	19 (2)
O1d^ii—M2ca—O2f^i	106.3 (5)	O3d^iv—M1ca—O2e^v	40 (3)
O1d^ii—M2ca—O3f^vi	159.2 (4)	O3d^iv—M1ca—O1f^vi	96.8 (4)
O1d^ii—M2ca—O3f^vii	154.5 (4)	O3d^iv—M1ca—O2f^iv	73.3 (5)
O1d^iii—M2ca—O2d^ii	10.8 (5)	O3d^iv—M1ca—O3f^iv	72.1 (4)
O1d^iii—M2ca—O2d^iii	49.1 (3)	O3d^iv—M1ca—O3f^v	69.7 (4)
O1d^iii—M2ca—O3d^iv	98.7 (4)	O1e^iv—M1ca—O2e^v	24 (5)
O1d^iii—M2ca—O1e^iv	95.3 (14)	O1e^iv—M1ca—O1f^vi	113 (3)
O1d^iii—M2ca—O1e^v	82.7 (18)	O1e^iv—M1ca—O2f^iv	76 (4)
O1d^iii—M2ca—O3e^ii	19 (4)	O1e^iv—M1ca—O3f^iv	87 (3)
O1d^iii—M2ca—O3e^iii	37 (5)	O1e^iv—M1ca—O3f^v	85 (3)
O1d^iii—M2ca—O1f	95.3 (5)	O2e^v—M1ca—O1f^vi	136 (3)
O1d^iii—M2ca—O1f^i	115.4 (6)	O2e^v—M1ca—O2f^iv	66 (4)
O1d^iii—M2ca—O2f	106.3 (5)	O2e^v—M1ca—O3f^iv	95 (3)
O1d^iii—M2ca—O2f^i	87.8 (5)	O2e^v—M1ca—O3f^v	94 (3)
O1d^iii—M2ca—O3f^vi	154.5 (4)	O1f^vi—M1ca—O2f^iv	116.7 (5)
O1d^iii—M2ca—O3f^vii	159.2 (4)	O1f^vi—M1ca—O3f^iv	69.4 (5)
O2d^ii—M2ca—O2d^iii	49.5 (3)	O1f^vi—M1ca—O3f^v	69.0 (5)
O2d^ii—M2ca—O3d^iv	109.1 (4)	O2f^iv—M1ca—O3f^iv	47.7 (5)
O2d^ii—M2ca—O1e^iv	106.1 (14)	O2f^iv—M1ca—O3f^v	48.6 (5)
O2d^ii—M2ca—O1e^v	92.5 (19)	O3f^iv—M1ca—O3f^v	2.7 (5)
O2d^ii—M2ca—O3e^ii	29 (3)	O1a^ix—M1k—O2a^ix	42.7 (9)
O2d^ii—M2ca—O3e^iii	44 (4)	O1a^ix—M1k—O2a^vii	54.5 (9)
O2d^ii—M2ca—O1f	85.1 (5)	O1a^ix—M1k—O3a	76.5 (14)
O2d^ii—M2ca—O1f^i	106.0 (6)	O1a^ix—M1k—O3a^vii	86.2 (11)
O2d^ii—M2ca—O2f	97.0 (5)	O1a^ix—M1k—O1b	79.1 (9)
O2d^ii—M2ca—O2f^i	77.4 (5)	O1a^ix—M1k—O2b	63.7 (9)
O2d^ii—M2ca—O3f^vi	151.4 (5)	O1a^ix—M1k—O2b^vii	55.6 (9)
O2d^ii—M2ca—O3f^vii	155.7 (5)	O1a^ix—M1k—O3b^ix	26.6 (9)
O2d^iii—M2ca—O3d^iv	109.1 (4)	O1a^ix—M1k—O1c	77.6 (8)
O2d^iii—M2ca—O1e^iv	92.5 (19)	O1a^ix—M1k—O2c	59.8 (9)
O2d^iii—M2ca—O1e^v	106.1 (14)	O1a^ix—M1k—O2c^vii	66.3 (8)
O2d^iii—M2ca—O3e^ii	44 (4)	O1a^ix—M1k—O3c^ix	37.0 (8)
O2d^iii—M2ca—O3e^iii	29 (3)	O1a^ix—M1k—O3d^iv	134.4 (6)
O2d^iii—M2ca—O1f	106.0 (6)	O1a^ix—M1k—O1e^iv	116 (3)
O2d^iii—M2ca—O1f^i	85.1 (5)	O1a^ix—M1k—O2e^v	97 (3)
O2d^iii—M2ca—O2f	77.4 (5)	O1a^ix—M1k—O1f^vi	120.2 (7)
O2d^iii—M2ca—O2f^i	97.0 (5)	O1a^ix—M1k—O1f^v	107.3 (8)
O2d^iii—M2ca—O3f^vi	155.7 (5)	O1a^ix—M1k—O2f^iv	107.7 (8)
O2d^iii—M2ca—O3f^vii	151.4 (5)	O1a^ix—M1k—O2f^vii	117.5 (7)
O3d^iv—M2ca—O1e^iv	19 (3)	O1a^ix—M1k—O3f^iv	142.7 (8)
O3d^iv—M2ca—O1e^v	19 (3)	O1a^ix—M1k—O3f^vi	133.7 (8)
O3d^iv—M2ca—O3e^ii	84 (2)	O1a^ix—M1k—O3f^vii	131.1 (8)
O3d^iv—M2ca—O3e^iii	84 (2)	O1a^ix—M1k—O3f^v	145.3 (8)
O3d^iv—M2ca—O1f	143.0 (5)	O2a^ix—M1k—O2a^vii	94.4 (9)
O3d^iv—M2ca—O1f^i	143.0 (5)	O2a^ix—M1k—O3a	90.1 (12)
O3d^iv—M2ca—O2f	150.4 (4)	O2a^ix—M1k—O3a^vii	107.3 (11)
O3d^iv—M2ca—O2f^i	150.4 (4)	O2a^ix—M1k—O1b	74.2 (9)
O3d^iv—M2ca—O3f^vi	78.5 (5)	O2a^ix—M1k—O2b	89.0 (9)
O3d^iv—M2ca—O3f^vii	78.5 (5)	O2a^ix—M1k—O2b^vii	87.2 (9)
O1e^iv—M2ca—O1e^v	32 (4)	O2a^ix—M1k—O3b^ix	24.3 (8)
O1e^iv—M2ca—O3e^ii	78 (3)	O2a^ix—M1k—O1c	71.1 (8)
O1e^iv—M2ca—O3e^iii	71 (3)	O2a^ix—M1k—O2c	85.1 (9)
O1e^iv—M2ca—O1f	161 (2)	O2a^ix—M1k—O2c^vii	90.0 (8)
O1e^iv—M2ca—O1f^i	135 (3)	O2a^ix—M1k—O3c^ix	10.7 (8)
O1e^iv—M2ca—O2f	139 (3)	O2a^ix—M1k—O3d^iv	95.9 (7)
O1e^iv—M2ca—O2f^i	170 (3)	O2a^ix—M1k—O1e^iv	78 (3)
O1e^iv—M2ca—O3f^vi	89.7 (13)	O2a^ix—M1k—O2e^v	56 (3)
O1e^iv—M2ca—O3f^vii	88.4 (12)	O2a^ix—M1k—O1f^vi	161.6 (8)
O1e^v—M2ca—O3e^ii	71 (3)	O2a^ix—M1k—O1f^v	83.9 (8)
O1e^v—M2ca—O3e^iii	78 (3)	O2a^ix—M1k—O2f^iv	79.8 (8)
O1e^v—M2ca—O1f	135 (3)	O2a^ix—M1k—O2f^vii	158.5 (8)
O1e^v—M2ca—O1f^i	161 (2)	O2a^ix—M1k—O3f^iv	127.5 (8)
O1e^v—M2ca—O2f	170 (3)	O2a^ix—M1k—O3f^vi	139.4 (8)
O1e^v—M2ca—O2f^i	139 (3)	O2a^ix—M1k—O3f^vii	138.6 (8)
O1e^v—M2ca—O3f^vi	88.4 (12)	O2a^ix—M1k—O3f^v	128.3 (8)
O1e^v—M2ca—O3f^vii	89.7 (13)	O2a^vii—M1k—O3a	89.5 (13)
O3e^ii—M2ca—O3e^iii	21 (7)	O2a^vii—M1k—O3a^vii	45.1 (11)
O3e^ii—M2ca—O1f	114 (4)	O2a^vii—M1k—O1b	111.1 (9)
O3e^ii—M2ca—O1f^i	125 (3)	O2a^vii—M1k—O2b	70.5 (9)
O3e^ii—M2ca—O2f	116 (3)	O2a^vii—M1k—O2b^vii	20.3 (10)
O3e^ii—M2ca—O2f^i	107 (3)	O2a^vii—M1k—O3b^ix	71.2 (8)
O3e^ii—M2ca—O3f^vi	158 (4)	O2a^vii—M1k—O1c	111.9 (8)
O3e^ii—M2ca—O3f^vii	161 (3)	O2a^vii—M1k—O2c	69.7 (9)
O3e^iii—M2ca—O1f	125 (3)	O2a^vii—M1k—O2c^vii	34.2 (9)
O3e^iii—M2ca—O1f^i	114 (4)	O2a^vii—M1k—O3c^ix	85.4 (8)
O3e^iii—M2ca—O2f	107 (3)	O2a^vii—M1k—O3d^iv	169.4 (7)
O3e^iii—M2ca—O2f^i	116 (3)	O2a^vii—M1k—O1e^iv	169 (3)
O3e^iii—M2ca—O3f^vi	161 (3)	O2a^vii—M1k—O2e^v	151 (3)
O3e^iii—M2ca—O3f^vii	158 (4)	O2a^vii—M1k—O1f^vi	72.6 (7)
O1f—M2ca—O1f^i	51.0 (5)	O2a^vii—M1k—O1f^v	104.5 (9)
O1f—M2ca—O2f	50.5 (5)	O2a^vii—M1k—O2f^iv	111.2 (9)
O1f—M2ca—O2f^i	9.2 (6)	O2a^vii—M1k—O2f^vii	71.1 (7)
O1f—M2ca—O3f^vi	74.3 (6)	O2a^vii—M1k—O3f^iv	103.4 (8)
O1f—M2ca—O3f^vii	76.4 (6)	O2a^vii—M1k—O3f^vi	109.6 (8)
O1f^i—M2ca—O2f	9.2 (6)	O2a^vii—M1k—O3f^vii	107.8 (8)
O1f^i—M2ca—O2f^i	50.5 (5)	O2a^vii—M1k—O3f^v	105.6 (8)
O1f^i—M2ca—O3f^vi	76.4 (6)	O3a—M1k—O3a^vii	131.2 (12)
O1f^i—M2ca—O3f^vii	74.3 (6)	O3a—M1k—O1b	26.3 (10)
O2f—M2ca—O2f^i	48.0 (4)	O3a—M1k—O2b	19.2 (11)
O2f—M2ca—O3f^vi	85.2 (6)	O3a—M1k—O2b^vii	108.4 (12)
O2f—M2ca—O3f^vii	83.3 (6)	O3a—M1k—O3b^ix	96.7 (12)
O2f^i—M2ca—O3f^vi	83.3 (6)	O3a—M1k—O1c	28.9 (9)
O2f^i—M2ca—O3f^vii	85.2 (6)	O3a—M1k—O2c	21.0 (12)
O3f^vi—M2ca—O3f^vii	4.6 (5)	O3a—M1k—O2c^vii	123.4 (11)
O3d^iv—M2mg—O3e^ii	84 (2)	O3a—M1k—O3c^ix	95.8 (11)
O3d^iv—M2mg—O3e^iii	84 (2)	O3a—M1k—O3d^iv	87.9 (11)
O3d^iv—M2mg—O3f^vi	78.5 (5)	O3a—M1k—O1e^iv	83 (4)
O3d^iv—M2mg—O3f^vii	78.5 (5)	O3a—M1k—O2e^v	92 (4)
O3e^ii—M2mg—O3e^iii	21 (7)	O3a—M1k—O1f^vi	77.1 (10)
O3e^ii—M2mg—O3f^vi	158 (4)	O3a—M1k—O1f^v	165.1 (10)
O3e^ii—M2mg—O3f^vii	161 (3)	O3a—M1k—O2f^iv	157.5 (10)
O3e^iii—M2mg—O3f^vi	161 (3)	O3a—M1k—O2f^vii	74.5 (10)
O3e^iii—M2mg—O3f^vii	158 (4)	O3a—M1k—O3f^iv	138.0 (11)
O3f^vi—M2mg—O3f^vii	4.6 (5)	O3a—M1k—O3f^vi	59.0 (11)
O1a—M3ca—O1a^iii	141.6 (11)	O3a—M1k—O3f^vii	56.6 (11)
O1a—M3ca—O2a^viii	69.9 (11)	O3a—M1k—O3f^v	136.0 (11)
O1a—M3ca—O2b^ix	82.0 (10)	O3a^vii—M1k—O1b	155.9 (9)
O1a—M3ca—O3b^iii	136.3 (10)	O3a^vii—M1k—O2b	113.7 (8)
O1a—M3ca—O1c	17.7 (9)	O3a^vii—M1k—O2b^vii	32.0 (11)
O1a—M3ca—O2c^ix	67.6 (9)	O3a^vii—M1k—O3b^ix	85.6 (9)
O1a—M3ca—O3c^viii	87.2 (9)	O3a^vii—M1k—O1c	157.0 (9)
O1a—M3ca—O1d^ii	66.6 (9)	O3a^vii—M1k—O2c	113.7 (9)
O1a—M3ca—O1d^v	106.5 (9)	O3a^vii—M1k—O2c^vii	20.1 (10)
O1a—M3ca—O2d^iv	104.7 (9)	O3a^vii—M1k—O3c^ix	96.8 (9)
O1a—M3ca—O2d^iii	60.2 (9)	O3a^vii—M1k—O3d^iv	132.8 (9)
O1a—M3ca—O2e^ii	72 (2)	O3a^vii—M1k—O1e^iv	145 (4)
O1a—M3ca—O2e^v	89 (3)	O3a^vii—M1k—O2e^v	136 (4)
O1a—M3ca—O3e^iii	76 (2)	O3a^vii—M1k—O1f^vi	73.1 (8)
O1a—M3ca—O2f^iii	138.3 (10)	O3a^vii—M1k—O1f^v	63.6 (8)
O1a^iii—M3ca—O2a^viii	121.4 (12)	O3a^vii—M1k—O2f^iv	71.3 (8)
O1a^iii—M3ca—O2b^ix	61.1 (9)	O3a^vii—M1k—O2f^vii	74.0 (8)
O1a^iii—M3ca—O3b^iii	32.3 (9)	O3a^vii—M1k—O3f^iv	61.1 (9)
O1a^iii—M3ca—O1c	136.5 (8)	O3a^vii—M1k—O3f^vi	112.9 (8)
O1a^iii—M3ca—O2c^ix	77.2 (9)	O3a^vii—M1k—O3f^vii	113.2 (8)
O1a^iii—M3ca—O3c^viii	110.2 (9)	O3a^vii—M1k—O3f^v	63.6 (9)
O1a^iii—M3ca—O1d^ii	146.8 (8)	O1b—M1k—O2b	42.4 (6)
O1a^iii—M3ca—O1d^v	63.0 (8)	O1b—M1k—O2b^vii	126.9 (8)
O1a^iii—M3ca—O2d^iv	68.0 (9)	O1b—M1k—O3b^ix	89.6 (7)
O1a^iii—M3ca—O2d^iii	154.6 (8)	O1b—M1k—O1c	3.2 (6)
O1a^iii—M3ca—O2e^ii	147 (2)	O1b—M1k—O2c	42.2 (6)
O1a^iii—M3ca—O2e^v	75 (4)	O1b—M1k—O2c^vii	141.7 (7)
O1a^iii—M3ca—O3e^iii	130 (3)	O1b—M1k—O3c^ix	82.9 (6)
O1a^iii—M3ca—O2f^iii	79.5 (9)	O1b—M1k—O3d^iv	69.4 (6)
O2a^viii—M3ca—O2b^ix	96.5 (11)	O1b—M1k—O1e^iv	59 (4)
O2a^viii—M3ca—O3b^iii	89.2 (10)	O1b—M1k—O2e^v	65 (4)
O2a^viii—M3ca—O1c	86.7 (9)	O1b—M1k—O1f^vi	97.9 (7)
O2a^viii—M3ca—O2c^ix	82.8 (10)	O1b—M1k—O1f^v	139.1 (6)
O2a^viii—M3ca—O3c^viii	17.8 (9)	O1b—M1k—O2f^iv	131.4 (6)
O2a^viii—M3ca—O1d^ii	79.8 (10)	O1b—M1k—O2f^vii	95.9 (6)
O2a^viii—M3ca—O1d^v	175.6 (9)	O1b—M1k—O3f^iv	137.6 (6)
O2a^viii—M3ca—O2d^iv	170.2 (10)	O1b—M1k—O3f^vi	66.8 (6)
O2a^viii—M3ca—O2d^iii	73.4 (10)	O1b—M1k—O3f^vii	65.4 (6)
O2a^viii—M3ca—O2e^ii	65 (3)	O1b—M1k—O3f^v	134.9 (6)
O2a^viii—M3ca—O2e^v	159 (3)	O2b—M1k—O2b^vii	89.3 (7)
O2a^viii—M3ca—O3e^iii	100 (3)	O2b—M1k—O3b^ix	87.9 (6)
O2a^viii—M3ca—O2f^iii	96.8 (9)	O2b—M1k—O1c	44.3 (5)
O2b^ix—M3ca—O3b^iii	62.2 (7)	O2b—M1k—O2c	4.1 (6)
O2b^ix—M3ca—O1c	85.1 (7)	O2b—M1k—O2c^vii	104.3 (6)
O2b^ix—M3ca—O2c^ix	17.1 (7)	O2b—M1k—O3c^ix	91.4 (5)
O2b^ix—M3ca—O3c^viii	103.6 (7)	O2b—M1k—O3d^iv	107.0 (5)
O2b^ix—M3ca—O1d^ii	147.8 (6)	O2b—M1k—O1e^iv	101 (4)
O2b^ix—M3ca—O1d^v	85.3 (6)	O2b—M1k—O2e^v	107 (4)
O2b^ix—M3ca—O2d^iv	90.7 (6)	O2b—M1k—O1f^vi	74.6 (5)
O2b^ix—M3ca—O2d^iii	142.2 (6)	O2b—M1k—O1f^v	171.0 (5)
O2b^ix—M3ca—O2e^ii	152 (3)	O2b—M1k—O2f^iv	168.7 (5)
O2b^ix—M3ca—O2e^v	80 (3)	O2b—M1k—O2f^vii	71.5 (5)
O2b^ix—M3ca—O3e^iii	145.5 (11)	O2b—M1k—O3f^iv	143.5 (5)
O2b^ix—M3ca—O2f^iii	139.6 (7)	O2b—M1k—O3f^vi	70.0 (5)
O3b^iii—M3ca—O1c	146.3 (7)	O2b—M1k—O3f^vii	67.4 (5)
O3b^iii—M3ca—O2c^ix	72.2 (7)	O2b—M1k—O3f^v	142.5 (5)
O3b^iii—M3ca—O3c^viii	78.5 (6)	O2b^vii—M1k—O3b^ix	62.9 (7)
O3b^iii—M3ca—O1d^ii	148.6 (6)	O2b^vii—M1k—O1c	126.9 (7)
O3b^iii—M3ca—O1d^v	95.3 (6)	O2b^vii—M1k—O2c	87.9 (8)
O3b^iii—M3ca—O2d^iv	100.1 (6)	O2b^vii—M1k—O2c^vii	15.2 (8)
O3b^iii—M3ca—O2d^iii	150.1 (6)	O2b^vii—M1k—O3c^ix	76.8 (7)
O3b^iii—M3ca—O2e^ii	134.1 (13)	O2b^vii—M1k—O3d^iv	163.4 (7)
O3b^iii—M3ca—O2e^v	107 (4)	O2b^vii—M1k—O1e^iv	162 (4)
O3b^iii—M3ca—O3e^iii	147 (2)	O2b^vii—M1k—O2e^v	139 (4)
O3b^iii—M3ca—O2f^iii	80.1 (7)	O2b^vii—M1k—O1f^vi	84.5 (7)
O1c—M3ca—O2c^ix	74.1 (6)	O2b^vii—M1k—O1f^v	84.9 (7)
O1c—M3ca—O3c^viii	103.4 (6)	O2b^vii—M1k—O2f^iv	91.3 (7)
O1c—M3ca—O1d^ii	62.8 (6)	O2b^vii—M1k—O2f^vii	83.8 (6)
O1c—M3ca—O1d^v	89.5 (6)	O2b^vii—M1k—O3f^iv	93.0 (7)
O1c—M3ca—O2d^iv	87.3 (6)	O2b^vii—M1k—O3f^vi	125.3 (6)
O1c—M3ca—O2d^iii	58.5 (5)	O2b^vii—M1k—O3f^vii	124.1 (6)
O1c—M3ca—O2e^ii	73.0 (14)	O2b^vii—M1k—O3f^v	95.6 (7)
O1c—M3ca—O2e^v	73 (3)	O3b^ix—M1k—O1c	87.0 (6)
O1c—M3ca—O3e^iii	66.0 (18)	O3b^ix—M1k—O2c	83.8 (6)
O1c—M3ca—O2f^iii	133.6 (6)	O3b^ix—M1k—O2c^vii	66.8 (6)
O2c^ix—M3ca—O3c^viii	93.1 (6)	O3b^ix—M1k—O3c^ix	14.3 (6)
O2c^ix—M3ca—O1d^ii	134.1 (6)	O3b^ix—M1k—O3d^iv	119.3 (5)
O2c^ix—M3ca—O1d^v	98.2 (5)	O3b^ix—M1k—O1e^iv	102 (3)
O2c^ix—M3ca—O2d^iv	103.0 (6)	O3b^ix—M1k—O2e^v	79 (3)
O2c^ix—M3ca—O2d^iii	127.3 (5)	O3b^ix—M1k—O1f^vi	143.3 (6)
O2c^ix—M3ca—O2e^ii	135 (3)	O3b^ix—M1k—O1f^v	83.3 (5)
O2c^ix—M3ca—O2e^v	89 (3)	O3b^ix—M1k—O2f^iv	82.4 (5)
O2c^ix—M3ca—O3e^iii	139.7 (15)	O3b^ix—M1k—O2f^vii	141.2 (6)
O2c^ix—M3ca—O2f^iii	152.3 (6)	O3b^ix—M1k—O3f^iv	125.3 (6)
O3c^viii—M3ca—O1d^ii	82.6 (5)	O3b^ix—M1k—O3f^vi	155.3 (5)
O3c^viii—M3ca—O1d^v	164.8 (5)	O3b^ix—M1k—O3f^vii	153.2 (5)
O3c^viii—M3ca—O2d^iv	162.7 (5)	O3b^ix—M1k—O3f^v	127.2 (5)
O3c^viii—M3ca—O2d^iii	78.0 (5)	O1c—M1k—O2c	43.8 (5)
O3c^viii—M3ca—O2e^ii	66 (3)	O1c—M1k—O2c^vii	141.3 (6)
O3c^viii—M3ca—O2e^v	175 (4)	O1c—M1k—O3c^ix	79.9 (5)
O3c^viii—M3ca—O3e^iii	101 (2)	O1c—M1k—O3d^iv	69.2 (4)
O3c^viii—M3ca—O2f^iii	81.0 (6)	O1c—M1k—O1e^iv	58 (4)
O1d^ii—M3ca—O1d^v	96.6 (4)	O1c—M1k—O2e^v	63 (4)
O1d^ii—M3ca—O2d^iv	90.6 (5)	O1c—M1k—O1f^vi	101.1 (5)
O1d^ii—M3ca—O2d^iii	8.0 (4)	O1c—M1k—O1f^v	136.8 (5)
O1d^ii—M3ca—O2e^ii	17 (2)	O1c—M1k—O2f^iv	129.0 (5)
O1d^ii—M3ca—O2e^v	93 (4)	O1c—M1k—O2f^vii	99.1 (5)
O1d^ii—M3ca—O3e^iii	20 (3)	O1c—M1k—O3f^iv	138.7 (5)
O1d^ii—M3ca—O2f^iii	72.3 (5)	O1c—M1k—O3f^vi	69.6 (4)
O1d^v—M3ca—O2d^iv	6.0 (4)	O1c—M1k—O3f^vii	68.3 (4)
O1d^v—M3ca—O2d^iii	102.7 (4)	O1c—M1k—O3f^v	136.1 (5)
O1d^v—M3ca—O2e^ii	112 (3)	O2c—M1k—O2c^vii	103.0 (6)
O1d^v—M3ca—O2e^v	17 (3)	O2c—M1k—O3c^ix	87.3 (6)
O1d^v—M3ca—O3e^iii	76 (3)	O2c—M1k—O3d^iv	108.6 (5)
O1d^v—M3ca—O2f^iii	84.3 (5)	O2c—M1k—O1e^iv	101 (4)
O2d^iv—M3ca—O2d^iii	96.8 (4)	O2c—M1k—O2e^v	105 (4)
O2d^iv—M3ca—O2e^ii	106 (3)	O2c—M1k—O1f^vi	78.3 (6)
O2d^iv—M3ca—O2e^v	18 (2)	O2c—M1k—O1f^v	167.0 (6)
O2d^iv—M3ca—O3e^iii	70 (3)	O2c—M1k—O2f^iv	164.9 (5)
O2d^iv—M3ca—O2f^iii	81.8 (5)	O2c—M1k—O2f^vii	75.2 (5)
O2d^iii—M3ca—O2e^ii	16.1 (12)	O2c—M1k—O3f^iv	147.4 (5)
O2d^iii—M3ca—O2e^v	97 (4)	O2c—M1k—O3f^vi	74.0 (6)
O2d^iii—M3ca—O3e^iii	27 (3)	O2c—M1k—O3f^vii	71.4 (6)
O2d^iii—M3ca—O2f^iii	78.2 (5)	O2c—M1k—O3f^v	146.5 (5)
O2e^ii—M3ca—O2e^v	109 (5)	O2c^vii—M1k—O3c^ix	79.3 (5)
O2e^ii—M3ca—O3e^iii	36 (4)	O2c^vii—M1k—O3d^iv	148.2 (5)
O2e^ii—M3ca—O2f^iii	67 (2)	O2c^vii—M1k—O1e^iv	152 (4)
O2e^v—M3ca—O3e^iii	74 (4)	O2c^vii—M1k—O2e^v	133 (4)
O2e^v—M3ca—O2f^iii	99 (2)	O2c^vii—M1k—O1f^vi	86.3 (5)
O3e^iii—M3ca—O2f^iii	67.9 (16)	O2c^vii—M1k—O1f^v	70.3 (6)
O1a—M3k—O1a^iii	141.6 (11)	O2c^vii—M1k—O2f^iv	77.1 (6)
O1a—M3k—O2a^viii	69.9 (11)	O2c^vii—M1k—O2f^vii	86.4 (5)
O1a—M3k—O2a^ix	82.7 (11)	O2c^vii—M1k—O3f^iv	79.5 (6)
O1a—M3k—O1b	26.4 (9)	O2c^vii—M1k—O3f^vi	128.1 (4)
O1a—M3k—O2b^viii	52.7 (9)	O2c^vii—M1k—O3f^vii	127.6 (4)
O1a—M3k—O2b^ix	82.0 (10)	O2c^vii—M1k—O3f^v	82.2 (6)
O1a—M3k—O3b^viii	95.3 (9)	O3c^ix—M1k—O3d^iv	105.1 (5)
O1a—M3k—O3b^iii	136.3 (10)	O3c^ix—M1k—O1e^iv	88 (3)
O1a—M3k—O1c	17.7 (9)	O3c^ix—M1k—O2e^v	65 (3)
O1a—M3k—O1c^iii	152.5 (9)	O3c^ix—M1k—O1f^vi	156.8 (5)
O1a—M3k—O2c^ix	67.6 (9)	O3c^ix—M1k—O1f^v	80.6 (5)
O1a—M3k—O3c^viii	87.2 (9)	O3c^ix—M1k—O2f^iv	77.8 (5)
O1a—M3k—O3c^iii	135.8 (9)	O3c^ix—M1k—O2f^vii	154.3 (5)
O1a—M3k—O1d^ii	66.6 (9)	O3c^ix—M1k—O3f^iv	124.6 (5)
O1a—M3k—O1d^v	106.5 (9)	O3c^ix—M1k—O3f^vi	149.2 (4)
O1a—M3k—O2d^iv	104.7 (9)	O3c^ix—M1k—O3f^vii	148.1 (4)
O1a—M3k—O2d^iii	60.2 (9)	O3c^ix—M1k—O3f^v	125.9 (5)
O1a—M3k—O1e^iv	76 (3)	O3d^iv—M1k—O1e^iv	19 (2)
O1a—M3k—O2e^ii	72 (2)	O3d^iv—M1k—O2e^v	40 (3)
O1a—M3k—O2e^v	89 (3)	O3d^iv—M1k—O1f^vi	96.8 (4)
O1a—M3k—O3e^ii	81.5 (17)	O3d^iv—M1k—O1f^v	79.3 (4)
O1a—M3k—O3e^iii	76 (2)	O3d^iv—M1k—O2f^iv	73.3 (5)
O1a—M3k—O1f^ii	144.5 (9)	O3d^iv—M1k—O2f^vii	98.3 (4)
O1a—M3k—O2f^iii	138.3 (10)	O3d^iv—M1k—O3f^iv	72.1 (4)
O1a^iii—M3k—O2a^viii	121.4 (12)	O3d^iv—M1k—O3f^vi	60.4 (4)
O1a^iii—M3k—O2a^ix	59.1 (10)	O3d^iv—M1k—O3f^vii	62.3 (4)
O1a^iii—M3k—O1b	126.8 (9)	O3d^iv—M1k—O3f^v	69.7 (4)
O1a^iii—M3k—O2b^viii	129.8 (9)	O1e^iv—M1k—O2e^v	24 (5)
O1a^iii—M3k—O2b^ix	61.1 (9)	O1e^iv—M1k—O1f^vi	113 (3)
O1a^iii—M3k—O3b^viii	100.7 (9)	O1e^iv—M1k—O1f^v	83 (4)
O1a^iii—M3k—O3b^iii	32.3 (9)	O1e^iv—M1k—O2f^iv	76 (4)
O1a^iii—M3k—O1c	136.5 (8)	O1e^iv—M1k—O2f^vii	114 (3)
O1a^iii—M3k—O1c^iii	15.0 (9)	O1e^iv—M1k—O3f^iv	87 (3)
O1a^iii—M3k—O2c^ix	77.2 (9)	O1e^iv—M1k—O3f^vi	73 (3)
O1a^iii—M3k—O3c^viii	110.2 (9)	O1e^iv—M1k—O3f^vii	74 (4)
O1a^iii—M3k—O3c^iii	38.1 (8)	O1e^iv—M1k—O3f^v	85 (3)
O1a^iii—M3k—O1d^ii	146.8 (8)	O2e^v—M1k—O1f^vi	136 (3)
O1a^iii—M3k—O1d^v	63.0 (8)	O2e^v—M1k—O1f^v	74 (4)
O1a^iii—M3k—O2d^iv	68.0 (9)	O2e^v—M1k—O2f^iv	66 (4)
O1a^iii—M3k—O2d^iii	154.6 (8)	O2e^v—M1k—O2f^vii	137 (4)
O1a^iii—M3k—O1e^iv	94 (3)	O2e^v—M1k—O3f^iv	95 (3)
O1a^iii—M3k—O2e^ii	147 (2)	O2e^v—M1k—O3f^vi	96 (4)
O1a^iii—M3k—O2e^v	75 (4)	O2e^v—M1k—O3f^vii	97 (4)
O1a^iii—M3k—O3e^ii	123 (2)	O2e^v—M1k—O3f^v	94 (3)
O1a^iii—M3k—O3e^iii	130 (3)	O1f^vi—M1k—O1f^v	111.6 (5)
O1a^iii—M3k—O1f^ii	73.5 (8)	O1f^vi—M1k—O2f^iv	116.7 (5)
O1a^iii—M3k—O2f^iii	79.5 (9)	O1f^vi—M1k—O2f^vii	3.1 (5)
O2a^viii—M3k—O2a^ix	117.0 (11)	O1f^vi—M1k—O3f^iv	69.4 (5)
O2a^viii—M3k—O1b	96.3 (9)	O1f^vi—M1k—O3f^vi	41.9 (4)
O2a^viii—M3k—O2b^viii	18.0 (8)	O1f^vi—M1k—O3f^vii	41.4 (5)
O2a^viii—M3k—O2b^ix	96.5 (11)	O1f^vi—M1k—O3f^v	69.0 (5)
O2a^viii—M3k—O3b^viii	25.5 (9)	O1f^v—M1k—O2f^iv	7.7 (5)
O2a^viii—M3k—O3b^iii	89.2 (10)	O1f^v—M1k—O2f^vii	114.5 (5)
O2a^viii—M3k—O1c	86.7 (9)	O1f^v—M1k—O3f^iv	44.1 (5)
O2a^viii—M3k—O1c^iii	127.6 (9)	O1f^v—M1k—O3f^vi	119.0 (4)
O2a^viii—M3k—O2c^ix	82.8 (10)	O1f^v—M1k—O3f^vii	121.6 (4)
O2a^viii—M3k—O3c^viii	17.8 (9)	O1f^v—M1k—O3f^v	45.4 (4)
O2a^viii—M3k—O3c^iii	83.7 (10)	O2f^iv—M1k—O2f^vii	119.7 (5)
O2a^viii—M3k—O1d^ii	79.8 (10)	O2f^iv—M1k—O3f^iv	47.7 (5)
O2a^viii—M3k—O1d^v	175.6 (9)	O2f^iv—M1k—O3f^vi	118.2 (4)
O2a^viii—M3k—O2d^iv	170.2 (10)	O2f^iv—M1k—O3f^vii	120.9 (4)
O2a^viii—M3k—O2d^iii	73.4 (10)	O2f^iv—M1k—O3f^v	48.6 (5)
O2a^viii—M3k—O1e^iv	143 (3)	O2f^vii—M1k—O3f^iv	72.5 (5)
O2a^viii—M3k—O2e^ii	65 (3)	O2f^vii—M1k—O3f^vi	42.1 (4)
O2a^viii—M3k—O2e^v	159 (3)	O2f^vii—M1k—O3f^vii	41.3 (4)
O2a^viii—M3k—O3e^ii	106 (2)	O2f^vii—M1k—O3f^v	72.1 (4)
O2a^viii—M3k—O3e^iii	100 (3)	O3f^iv—M1k—O3f^vi	79.1 (5)
O2a^viii—M3k—O1f^ii	98.0 (9)	O3f^iv—M1k—O3f^vii	81.4 (5)
O2a^viii—M3k—O2f^iii	96.8 (9)	O3f^iv—M1k—O3f^v	2.7 (5)
O2a^ix—M3k—O1b	71.1 (8)	O3f^vi—M1k—O3f^vii	2.7 (4)
O2a^ix—M3k—O2b^viii	105.8 (8)	O3f^vi—M1k—O3f^v	77.0 (4)
O2a^ix—M3k—O2b^ix	22.1 (9)	O3f^vii—M1k—O3f^v	79.3 (4)
O2a^ix—M3k—O3b^viii	121.9 (8)	O3a—M1mg—O2b^vii	108.4 (12)
O2a^ix—M3k—O3b^iii	73.2 (8)	O3a—M1mg—O1e^iv	83 (4)
O2a^ix—M3k—O1c	79.1 (8)	O2b^vii—M1mg—O1e^iv	162 (4)
O2a^ix—M3k—O1c^iii	70.4 (8)	O1a—C1a—O2a	120 (3)
O2a^ix—M3k—O2c^ix	34.2 (9)	O1a—C1a—O3a	122 (3)
O2a^ix—M3k—O3c^viii	125.6 (8)	O1a—C1a—O1b	65 (2)
O2a^ix—M3k—O3c^iii	78.6 (7)	O1a—C1a—O2b	172 (3)
O2a^ix—M3k—O1d^ii	137.8 (7)	O1a—C1a—O3b	63 (2)
O2a^ix—M3k—O1d^v	64.2 (8)	O1a—C1a—O1c	38.6 (19)
O2a^ix—M3k—O2d^iv	69.3 (8)	O1a—C1a—O2c	151 (3)
O2a^ix—M3k—O2d^iii	136.3 (7)	O1a—C1a—O3c	87 (2)
O2a^ix—M3k—O1e^iv	70 (3)	O2a—C1a—O3a	118 (3)
O2a^ix—M3k—O2e^ii	151.9 (13)	O2a—C1a—O1b	174 (3)
O2a^ix—M3k—O2e^v	58 (3)	O2a—C1a—O2b	52.5 (19)
O2a^ix—M3k—O3e^ii	125.0 (13)	O2a—C1a—O3b	58 (2)
O2a^ix—M3k—O3e^iii	126.9 (15)	O2a—C1a—O1c	155 (3)
O2a^ix—M3k—O1f^ii	130.7 (8)	O2a—C1a—O2c	81 (2)
O2a^ix—M3k—O2f^iii	135.7 (8)	O2a—C1a—O3c	32.5 (17)
O1b—M3k—O2b^viii	79.1 (6)	O3a—C1a—O1b	58 (2)
O1b—M3k—O2b^ix	80.1 (7)	O3a—C1a—O2b	65 (2)
O1b—M3k—O3b^viii	121.8 (6)	O3a—C1a—O3b	172 (2)
O1b—M3k—O3b^iii	142.3 (7)	O3a—C1a—O1c	85 (2)
O1b—M3k—O1c	10.4 (7)	O3a—C1a—O2c	42 (2)
O1b—M3k—O1c^iii	131.3 (6)	O3a—C1a—O3c	150 (2)
O1b—M3k—O2c^ix	71.6 (6)	O1b—C1a—O2b	123 (2)
O1b—M3k—O3c^viii	113.4 (6)	O1b—C1a—O3b	126 (2)
O1b—M3k—O3c^iii	145.9 (6)	O1b—C1a—O1c	28.0 (15)
O1b—M3k—O1d^ii	68.6 (6)	O1b—C1a—O2c	96 (2)
O1b—M3k—O1d^v	80.0 (6)	O1b—C1a—O3c	152 (2)
O1b—M3k—O2d^iv	78.3 (6)	O2b—C1a—O3b	110 (2)
O1b—M3k—O2d^iii	65.4 (6)	O2b—C1a—O1c	150 (2)
O1b—M3k—O1e^iv	50 (3)	O2b—C1a—O2c	32.6 (14)
O1b—M3k—O2e^ii	80.8 (12)	O2b—C1a—O3c	84.9 (17)
O1b—M3k—O2e^v	63 (3)	O3b—C1a—O1c	97.5 (19)
O1b—M3k—O3e^ii	71.7 (11)	O3b—C1a—O2c	137 (2)
O1b—M3k—O3e^iii	68.1 (15)	O3b—C1a—O3c	26.9 (13)
O1b—M3k—O1f^ii	141.2 (6)	O1c—C1a—O2c	124 (2)
O1b—M3k—O2f^iii	135.6 (6)	O1c—C1a—O3c	124.2 (19)
O2b^viii—M3k—O2b^ix	88.2 (7)	O2c—C1a—O3c	110.4 (18)
O2b^viii—M3k—O3b^viii	43.0 (5)	O1a—C1b—O2a	123 (2)
O2b^viii—M3k—O3b^iii	99.4 (7)	O1a—C1b—O3a	114 (2)
O2b^viii—M3k—O1c	70.0 (6)	O1a—C1b—O1b	60.4 (19)
O2b^viii—M3k—O1c^iii	140.0 (6)	O1a—C1b—O2b	172 (2)
O2b^viii—M3k—O2c^ix	72.3 (7)	O1a—C1b—O3b	63 (2)
O2b^viii—M3k—O3c^viii	35.8 (5)	O1a—C1b—O1c	36.5 (18)
O2b^viii—M3k—O3c^iii	94.9 (5)	O1a—C1b—O2c	142 (2)
O2b^viii—M3k—O1d^ii	78.6 (5)	O1a—C1b—O3c	88.5 (19)
O2b^viii—M3k—O1d^v	158.9 (5)	O2a—C1b—O3a	122 (2)
O2b^viii—M3k—O2d^iv	157.3 (5)	O2a—C1b—O1b	176 (2)
O2b^viii—M3k—O2d^iii	71.0 (5)	O2a—C1b—O2b	56 (2)
O2b^viii—M3k—O1e^iv	128 (3)	O2a—C1b—O3b	62.0 (19)
O2b^viii—M3k—O2e^ii	68 (3)	O2a—C1b—O1c	158 (2)
O2b^viii—M3k—O2e^v	142 (3)	O2a—C1b—O2c	84 (2)
O2b^viii—M3k—O3e^ii	105 (2)	O2a—C1b—O3c	34.9 (18)
O2b^viii—M3k—O3e^iii	98 (3)	O3a—C1b—O1b	54.4 (18)
O2b^viii—M3k—O1f^ii	115.0 (5)	O3a—C1b—O2b	65.6 (19)
O2b^viii—M3k—O2f^iii	113.1 (6)	O3a—C1b—O3b	176 (2)
O2b^ix—M3k—O3b^viii	99.8 (7)	O3a—C1b—O1c	80.0 (19)
O2b^ix—M3k—O3b^iii	62.2 (7)	O3a—C1b—O2c	40.8 (19)
O2b^ix—M3k—O1c	85.1 (7)	O3a—C1b—O3c	155 (2)
O2b^ix—M3k—O1c^iii	75.4 (7)	O1b—C1b—O2b	119.9 (17)
O2b^ix—M3k—O2c^ix	17.1 (7)	O1b—C1b—O3b	122.1 (16)
O2b^ix—M3k—O3c^viii	103.6 (7)	O1b—C1b—O1c	26.0 (13)
O2b^ix—M3k—O3c^iii	66.2 (6)	O1b—C1b—O2c	91.5 (15)
O2b^ix—M3k—O1d^ii	147.8 (6)	O1b—C1b—O3c	148.9 (15)
O2b^ix—M3k—O1d^v	85.3 (6)	O2b—C1b—O3b	117.9 (17)
O2b^ix—M3k—O2d^iv	90.7 (6)	O2b—C1b—O1c	145.4 (17)
O2b^ix—M3k—O2d^iii	142.2 (6)	O2b—C1b—O2c	33.2 (14)
O2b^ix—M3k—O1e^iv	91 (3)	O2b—C1b—O3c	90.6 (15)
O2b^ix—M3k—O2e^ii	152 (3)	O3b—C1b—O1c	96.4 (15)
O2b^ix—M3k—O2e^v	80 (3)	O3b—C1b—O2c	143.0 (17)
O2b^ix—M3k—O3e^ii	145.3 (10)	O3b—C1b—O3c	28.4 (13)
O2b^ix—M3k—O3e^iii	145.5 (11)	O1c—C1b—O2c	117.1 (15)
O2b^ix—M3k—O1f^ii	133.3 (6)	O1c—C1b—O3c	124.0 (14)
O2b^ix—M3k—O2f^iii	139.6 (7)	O2c—C1b—O3c	115.0 (14)
O3b^viii—M3k—O3b^iii	69.2 (6)	O1a—C1c—O2a	123 (2)
O3b^viii—M3k—O1c	112.1 (6)	O1a—C1c—O3a	115 (2)
O3b^viii—M3k—O1c^iii	103.6 (5)	O1a—C1c—O1b	60.8 (19)
O3b^viii—M3k—O2c^ix	91.6 (6)	O1a—C1c—O2b	174 (2)
O3b^viii—M3k—O3c^viii	9.5 (5)	O1a—C1c—O3b	62 (2)
O3b^viii—M3k—O3c^iii	63.0 (5)	O1a—C1c—O1c	36.5 (18)
O3b^viii—M3k—O1d^ii	90.4 (5)	O1a—C1c—O2c	150 (2)
O3b^viii—M3k—O1d^v	158.1 (5)	O1a—C1c—O3c	88.6 (19)
O3b^viii—M3k—O2d^iv	158.5 (6)	O2a—C1c—O3a	121 (2)
O3b^viii—M3k—O2d^iii	86.4 (5)	O2a—C1c—O1b	166 (2)
O3b^viii—M3k—O1e^iv	165 (3)	O2a—C1c—O2b	55.4 (19)
O3b^viii—M3k—O2e^ii	73 (3)	O2a—C1c—O3b	60.5 (19)
O3b^viii—M3k—O2e^v	175 (3)	O2a—C1c—O1c	151 (2)
O3b^viii—M3k—O3e^ii	111.9 (15)	O2a—C1c—O2c	85.7 (19)
O3b^viii—M3k—O3e^iii	108 (2)	O2a—C1c—O3c	34.5 (17)
O3b^viii—M3k—O1f^ii	77.5 (6)	O3a—C1c—O1b	54.6 (18)
O3b^viii—M3k—O2f^iii	78.1 (6)	O3a—C1c—O2b	65.6 (19)
O3b^iii—M3k—O1c	146.3 (7)	O3a—C1c—O3b	164 (2)
O3b^iii—M3k—O1c^iii	40.7 (7)	O3a—C1c—O1c	79.8 (18)
O3b^iii—M3k—O2c^ix	72.2 (7)	O3a—C1c—O2c	41.7 (19)
O3b^iii—M3k—O3c^viii	78.5 (6)	O3a—C1c—O3c	154.9 (17)
O3b^iii—M3k—O3c^iii	6.3 (6)	O1b—C1c—O2b	119.7 (16)
O3b^iii—M3k—O1d^ii	148.6 (6)	O1b—C1c—O3b	120.1 (15)
O3b^iii—M3k—O1d^v	95.3 (6)	O1b—C1c—O1c	25.9 (13)
O3b^iii—M3k—O2d^iv	100.1 (6)	O1b—C1c—O2c	94.1 (15)
O3b^iii—M3k—O2d^iii	150.1 (6)	O1b—C1c—O3c	148.0 (14)
O3b^iii—M3k—O1e^iv	126 (3)	O2b—C1c—O3b	115.2 (16)
O3b^iii—M3k—O2e^ii	134.1 (13)	O2b—C1c—O1c	142.5 (15)
O3b^iii—M3k—O2e^v	107 (4)	O2b—C1c—O2c	33.8 (14)
O3b^iii—M3k—O3e^ii	142.0 (16)	O2b—C1c—O3c	89.8 (14)
O3b^iii—M3k—O3e^iii	147 (2)	O3b—C1c—O1c	94.2 (14)
O3b^iii—M3k—O1f^ii	73.9 (6)	O3b—C1c—O2c	145.8 (15)
O3b^iii—M3k—O2f^iii	80.1 (7)	O3b—C1c—O3c	27.9 (13)
O1c—M3k—O1c^iii	141.7 (6)	O1c—C1c—O2c	119.9 (14)
O1c—M3k—O2c^ix	74.1 (6)	O1c—C1c—O3c	122.1 (13)
O1c—M3k—O3c^viii	103.4 (6)	O2c—C1c—O3c	117.9 (13)
O1c—M3k—O3c^iii	148.2 (6)	O1d—C1d—O1d^i	110.9 (11)
O1c—M3k—O1d^ii	62.8 (6)	O1d—C1d—O2d	119.9 (11)
O1c—M3k—O1d^v	89.5 (6)	O1d—C1d—O2d^i	22.6 (10)
O1c—M3k—O2d^iv	87.3 (6)	O1d—C1d—O3d	122.1 (7)
O1c—M3k—O2d^iii	58.5 (5)	O1d—C1d—O1e	161 (5)
O1c—M3k—O1e^iv	58 (3)	O1d—C1d—O1e^i	87 (6)
O1c—M3k—O2e^ii	73.0 (14)	O1d—C1d—O2e	36 (6)
O1c—M3k—O2e^v	73 (3)	O1d—C1d—O2e^i	147 (7)
O1c—M3k—O3e^ii	70.6 (13)	O1d—C1d—O3e	74 (8)
O1c—M3k—O3e^iii	66.0 (18)	O1d—C1d—O3e^i	39 (8)
O1c—M3k—O1f^ii	139.8 (5)	O1d^i—C1d—O2d	22.6 (10)
O1c—M3k—O2f^iii	133.6 (6)	O1d^i—C1d—O2d^i	119.9 (11)
O1c^iii—M3k—O2c^ix	91.9 (6)	O1d^i—C1d—O3d	122.1 (7)
O1c^iii—M3k—O3c^viii	112.9 (5)	O1d^i—C1d—O1e	87 (6)
O1c^iii—M3k—O3c^iii	45.2 (5)	O1d^i—C1d—O1e^i	161 (5)
O1c^iii—M3k—O1d^ii	131.9 (5)	O1d^i—C1d—O2e	147 (7)
O1c^iii—M3k—O1d^v	56.8 (5)	O1d^i—C1d—O2e^i	36 (6)
O1c^iii—M3k—O2d^iv	60.8 (5)	O1d^i—C1d—O3e	39 (8)
O1c^iii—M3k—O2d^iii	139.7 (5)	O1d^i—C1d—O3e^i	74 (8)
O1c^iii—M3k—O1e^iv	89 (3)	O2d—C1d—O2d^i	119.5 (11)
O1c^iii—M3k—O2e^ii	133 (3)	O2d—C1d—O3d	117.9 (7)
O1c^iii—M3k—O2e^v	72 (4)	O2d—C1d—O1e	79 (5)
O1c^iii—M3k—O3e^ii	109 (2)	O2d—C1d—O1e^i	149 (8)
O1c^iii—M3k—O3e^iii	116 (3)	O2d—C1d—O2e	154 (2)
O1c^iii—M3k—O1f^ii	60.7 (5)	O2d—C1d—O2e^i	35 (2)
O1c^iii—M3k—O2f^iii	66.3 (6)	O2d—C1d—O3e	58 (7)
O2c^ix—M3k—O3c^viii	93.1 (6)	O2d—C1d—O3e^i	89 (8)
O2c^ix—M3k—O3c^iii	74.7 (5)	O2d^i—C1d—O3d	117.9 (7)
O2c^ix—M3k—O1d^ii	134.1 (6)	O2d^i—C1d—O1e	149 (8)
O2c^ix—M3k—O1d^v	98.2 (5)	O2d^i—C1d—O1e^i	79 (5)
O2c^ix—M3k—O2d^iv	103.0 (6)	O2d^i—C1d—O2e	35 (2)
O2c^ix—M3k—O2d^iii	127.3 (5)	O2d^i—C1d—O2e^i	154 (2)
O2c^ix—M3k—O1e^iv	96 (2)	O2d^i—C1d—O3e	89 (8)
O2c^ix—M3k—O2e^ii	135 (3)	O2d^i—C1d—O3e^i	58 (7)
O2c^ix—M3k—O2e^v	89 (3)	O3d—C1d—O1e	39 (5)
O2c^ix—M3k—O3e^ii	142.9 (9)	O3d—C1d—O1e^i	39 (5)
O2c^ix—M3k—O3e^iii	139.7 (15)	O3d—C1d—O2e	87 (4)
O2c^ix—M3k—O1f^ii	146.1 (5)	O3d—C1d—O2e^i	87 (4)
O2c^ix—M3k—O2f^iii	152.3 (6)	O3d—C1d—O3e	142 (4)
O3c^viii—M3k—O3c^iii	72.4 (5)	O3d—C1d—O3e^i	142 (4)
O3c^viii—M3k—O1d^ii	82.6 (5)	O1e—C1d—O1e^i	75 (9)
O3c^viii—M3k—O1d^v	164.8 (5)	O1e—C1d—O2e	125 (8)
O3c^viii—M3k—O2d^iv	162.7 (5)	O1e—C1d—O2e^i	50 (9)
O3c^viii—M3k—O2d^iii	78.0 (5)	O1e—C1d—O3e	121 (11)
O3c^viii—M3k—O1e^iv	156 (3)	O1e—C1d—O3e^i	153 (11)
O3c^viii—M3k—O2e^ii	66 (3)	O1e^i—C1d—O2e	50 (9)
O3c^viii—M3k—O2e^v	175 (4)	O1e^i—C1d—O2e^i	125 (8)
O3c^viii—M3k—O3e^ii	105.8 (16)	O1e^i—C1d—O3e	153 (11)
O3c^viii—M3k—O3e^iii	101 (2)	O1e^i—C1d—O3e^i	121 (11)
O3c^viii—M3k—O1f^ii	81.4 (5)	O2e—C1d—O2e^i	171 (6)
O3c^viii—M3k—O2f^iii	81.0 (6)	O2e—C1d—O3e	108 (11)
O3c^iii—M3k—O1d^ii	143.5 (5)	O2e—C1d—O3e^i	73 (11)
O3c^iii—M3k—O1d^v	100.7 (4)	O2e^i—C1d—O3e	73 (11)
O3c^iii—M3k—O2d^iv	105.4 (5)	O2e^i—C1d—O3e^i	108 (11)
O3c^iii—M3k—O2d^iii	144.2 (4)	O3e—C1d—O3e^i	35 (12)
O3c^iii—M3k—O1e^iv	132 (3)	O1d—C1e—O1d^i	117.1 (19)
O3c^iii—M3k—O2e^ii	128.2 (13)	O1d—C1e—O2d	120.6 (18)
O3c^iii—M3k—O2e^v	113 (4)	O1d—C1e—O2d^i	22.9 (11)
O3c^iii—M3k—O3e^ii	141.1 (13)	O1d—C1e—O3d	124.5 (19)
O3c^iii—M3k—O3e^iii	145.6 (16)	O1d—C1e—O1e	156 (7)
O3c^iii—M3k—O1f^ii	71.7 (5)	O1d—C1e—O1e^i	88 (6)
O3c^iii—M3k—O2f^iii	77.7 (5)	O1d—C1e—O2e	38 (6)
O1d^ii—M3k—O1d^v	96.6 (4)	O1d—C1e—O2e^i	152 (4)
O1d^ii—M3k—O2d^iv	90.6 (5)	O1d—C1e—O3e	81 (9)
O1d^ii—M3k—O2d^iii	8.0 (4)	O1d—C1e—O3e^i	43 (9)
O1d^ii—M3k—O1e^iv	75 (3)	O1d^i—C1e—O2d	21.5 (11)
O1d^ii—M3k—O2e^ii	17 (2)	O1d^i—C1e—O2d^i	120.7 (18)
O1d^ii—M3k—O2e^v	93 (4)	O1d^i—C1e—O3d	118.3 (18)
O1d^ii—M3k—O3e^ii	27 (2)	O1d^i—C1e—O1e	83 (6)
O1d^ii—M3k—O3e^iii	20 (3)	O1d^i—C1e—O1e^i	151 (7)
O1d^ii—M3k—O1f^ii	78.7 (5)	O1d^i—C1e—O2e	155 (4)
O1d^ii—M3k—O2f^iii	72.3 (5)	O1d^i—C1e—O2e^i	36 (5)
O1d^v—M3k—O2d^iv	6.0 (4)	O1d^i—C1e—O3e	41 (9)
O1d^v—M3k—O2d^iii	102.7 (4)	O1d^i—C1e—O3e^i	79 (9)
O1d^v—M3k—O1e^iv	33 (3)	O2d—C1e—O2d^i	114.6 (17)
O1d^v—M3k—O2e^ii	112 (3)	O2d—C1e—O3d	109.6 (17)
O1d^v—M3k—O2e^v	17 (3)	O2d—C1e—O1e	73 (4)
O1d^v—M3k—O3e^ii	70.6 (18)	O2d—C1e—O1e^i	133 (8)
O1d^v—M3k—O3e^iii	76 (3)	O2d—C1e—O2e	149 (4)
O1d^v—M3k—O1f^ii	83.6 (5)	O2d—C1e—O2e^i	33 (2)
O1d^v—M3k—O2f^iii	84.3 (5)	O2d—C1e—O3e	59 (8)
O2d^iv—M3k—O2d^iii	96.8 (4)	O2d—C1e—O3e^i	92 (8)
O2d^iv—M3k—O1e^iv	29 (3)	O2d^i—C1e—O3d	114.5 (18)
O2d^iv—M3k—O2e^ii	106 (3)	O2d^i—C1e—O1e	136 (8)
O2d^iv—M3k—O2e^v	18 (2)	O2d^i—C1e—O1e^i	77 (5)
O2d^iv—M3k—O3e^ii	64.6 (18)	O2d^i—C1e—O2e	35 (2)
O2d^iv—M3k—O3e^iii	70 (3)	O2d^i—C1e—O2e^i	146 (4)
O2d^iv—M3k—O1f^ii	81.7 (5)	O2d^i—C1e—O3e	95 (8)
O2d^iv—M3k—O2f^iii	81.8 (5)	O2d^i—C1e—O3e^i	62 (8)
O2d^iii—M3k—O1e^iv	79 (3)	O3d—C1e—O1e	37 (4)
O2d^iii—M3k—O2e^ii	16.1 (12)	O3d—C1e—O1e^i	38 (5)
O2d^iii—M3k—O2e^v	97 (4)	O3d—C1e—O2e	86 (5)
O2d^iii—M3k—O3e^ii	34 (2)	O3d—C1e—O2e^i	83 (5)
O2d^iii—M3k—O3e^iii	27 (3)	O3d—C1e—O3e	150 (7)
O2d^iii—M3k—O1f^ii	84.5 (5)	O3d—C1e—O3e^i	156 (6)
O2d^iii—M3k—O2f^iii	78.2 (5)	O1e—C1e—O1e^i	69 (9)
O1e^iv—M3k—O2e^ii	92 (4)	O1e—C1e—O2e	120 (9)
O1e^iv—M3k—O2e^v	19 (5)	O1e—C1e—O2e^i	47 (8)
O1e^iv—M3k—O3e^ii	55 (3)	O1e—C1e—O3e	122 (11)
O1e^iv—M3k—O3e^iii	58 (3)	O1e—C1e—O3e^i	161 (11)
O1e^iv—M3k—O1f^ii	102.7 (18)	O1e^i—C1e—O2e	51 (9)
O1e^iv—M3k—O2f^iii	100.4 (18)	O1e^i—C1e—O2e^i	117 (9)
O2e^ii—M3k—O2e^v	109 (5)	O1e^i—C1e—O3e	168 (11)
O2e^ii—M3k—O3e^ii	41 (4)	O1e^i—C1e—O3e^i	130 (11)
O2e^ii—M3k—O3e^iii	36 (4)	O2e—C1e—O2e^i	166 (12)
O2e^ii—M3k—O1f^ii	73 (2)	O2e—C1e—O3e	118 (11)
O2e^ii—M3k—O2f^iii	67 (2)	O2e—C1e—O3e^i	79 (12)
O2e^v—M3k—O3e^ii	70 (4)	O2e^i—C1e—O3e	75 (11)
O2e^v—M3k—O3e^iii	74 (4)	O2e^i—C1e—O3e^i	114 (11)
O2e^v—M3k—O1f^ii	99 (2)	O3e—C1e—O3e^i	39 (13)
O2e^v—M3k—O2f^iii	99 (2)	O1f—C1f—O1f^i	120.5 (13)
O3e^ii—M3k—O3e^iii	7 (3)	O1f—C1f—O2f	119.9 (13)
O3e^ii—M3k—O1f^ii	69.7 (11)	O1f—C1f—O2f^i	19.2 (13)
O3e^ii—M3k—O2f^iii	63.9 (11)	O1f—C1f—O3f	122.1 (11)
O3e^iii—M3k—O1f^ii	73.9 (17)	O1f—C1f—O3f^i	113.5 (11)
O3e^iii—M3k—O2f^iii	67.9 (16)	O1f^i—C1f—O2f	19.2 (13)
O1f^ii—M3k—O2f^iii	6.4 (5)	O1f^i—C1f—O2f^i	119.9 (13)
O3a—M1ca—O3a^vii	131.2 (12)	O1f^i—C1f—O3f	113.5 (11)
O3a—M1ca—O1b	26.3 (10)	O1f^i—C1f—O3f^i	122.1 (11)
O3a—M1ca—O2b^vii	108.4 (12)	O2f—C1f—O2f^i	112.5 (12)
O3a—M1ca—O3b^ix	96.7 (12)	O2f—C1f—O3f	117.9 (11)
O3a—M1ca—O2c	21.0 (12)	O2f—C1f—O3f^i	126.5 (11)
O3a—M1ca—O2c^vii	123.4 (11)	O2f^i—C1f—O3f	126.5 (11)
O3a—M1ca—O3c^ix	95.8 (11)	O2f^i—C1f—O3f^i	117.9 (11)
O3a—M1ca—O3d^iv	87.9 (11)	O3f—C1f—O3f^i	8.7 (10)

Symmetry codes: (i) x, −y+1/2, z; (ii) x−1/2, −y+1/2, −z+1/2; (iii) x−1/2, y, −z+1/2; (iv) x−1, y, z; (v) x−1, −y+1/2, z; (vi) x−1/2, −y+1/2, −z+3/2; (vii) x−1/2, y, −z+3/2; (viii) −x+1/2, −y+1, z−1/2; (ix) −x, −y+1, −z+1.