Crystal structure, hydrogen bonds and thermal transformations of super­protonic conductor Cs₆(SO₄)₃(H₃PO₄)₄

Crystals of Cs₆(SO₄)₃(H₃PO₄)₄ belong to the family of alkali metal acid salts that show a high protonic conductivity at relatively low temperatures. Such properties make superprotonic crystals an excellent choice for the study of the influence of the hydrogen subsystem on the physicochemical properties and promising materials for energy-efficient technologies. Single crystals of Cs₆(SO₄)₃(H₃PO₄)₄ were studied by neutron diffraction methods, optical polarization microscopy, scanning electron microscopy and energy-dispersive X-ray spectroscopy. Neutron diffraction studies made it possible to determine the positions of all the atoms with high accuracy, including the H atom on a hydrogen bond characterized by a single-minimum potential, to confirm the chemical com­position of the Cs₆(SO₄)₃(H₃PO₄)₄ crystals and their cubic symmetry in low- and high-temperature phases, and to draw conclusions about the three-dimensional system of hydrogen bonds, which is fundamentally different in com­parison with other superprotonic com­pounds. Based on the experimental data obtained, crystal transformations with temperature changes are reported, and the stability of the chemical com­position is shown.

Computing details

(I)

Crystal data

Cs6H12O28P4S3	Dx = 3.190 Mg m^−3
Mr = 1477.6	Neutron radiation, λ = 1.455 Å
Cubic, I43d	Cell parameters from 2078 reflections
Hall symbol: I -4bd 2c 3	θ = 7.0–59.6°
a = 14.5549 (6) Å	µ = 0.0 mm^−1
V = 3083.4 (4) Å^3	T = 290 K
Z = 4	, colourless
F(000) = 716.788	2.45 × 2.43 × 2.42 × 1.22 (radius) mm

Data collection

Diffractometer	Rint = 0.017
Radiation source: neutron	θmax = 59.6°, θmin = 7.0°
2078 measured reflections	h = −13→11
437 independent reflections	k = 0→17
434 reflections with I > 3σ(I)	l = −9→13

Refinement

Refinement on F	All H-atom parameters refined
R[F^2 > 2σ(F^2)] = 0.017	Weighting scheme based on measured s.u.'s w = 1/(σ^2(F) + 0.0001F^2)
wR(F^2) = 0.024	(Δ/σ)max = 0.008
S = 1.92	Δρmax = 0.12 e Å^−3
434 reflections	Δρmin = −0.15 e Å^−3
42 parameters	Extinction correction: B-C type 1 Lorentzian isotropic (Becker & Coppens, 1974)
0 restraints	Extinction coefficient: 780 (60)
0 constraints	Absolute structure: 185 of Friedel pairs used in the refinement

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

	x	y	z	Uiso*/Ueq
Cs1	0.09951 (8)	0	0.25	0.0277 (3)
S1	0.375	0	0.25	0.0232 (6)
P1	0.99766 (6)	0.99766 (6)	0.99766 (6)	0.0225 (2)
O1	0.77889 (6)	0.06665 (7)	0.07790 (5)	0.0323 (3)
O2	0.08810 (5)	0.95100 (6)	0.03212 (6)	0.0281 (3)
O3	0.93913 (6)	0.93913 (6)	0.93913 (6)	0.0307 (2)
H1	0.88285 (11)	0.04628 (10)	0.08356 (10)	0.0378 (5)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cs1	0.0303 (6)	0.0297 (6)	0.0230 (5)	0	0	0.0006 (5)
S1	0.0291 (14)	0.0203 (9)	0.0203 (9)	0	0	0
P1	0.0225 (3)	0.0225 (3)	0.0225 (3)	−0.0009 (4)	−0.0009 (4)	−0.0009 (4)
O1	0.0273 (4)	0.0426 (5)	0.0270 (4)	0.0054 (4)	0.0038 (3)	0.0088 (4)
O2	0.0219 (4)	0.0274 (5)	0.0351 (5)	0.0006 (3)	−0.0010 (3)	0.0034 (3)
O3	0.0307 (3)	0.0307 (3)	0.0307 (3)	−0.0044 (3)	−0.0044 (3)	−0.0044 (3)
H1	0.0372 (10)	0.0412 (8)	0.0350 (7)	−0.0008 (7)	0.0037 (6)	−0.0001 (6)

Geometric parameters (Å, º)

Cs1—S1	4.0097 (12)	P1—O1^xxxv	3.5371 (12)
Cs1—S1^i	4.3183 (4)	P1—O1^xxxvi	4.2919 (11)
Cs1—S1^ii	4.3183 (4)	P1—O1^xxxvii	3.6823 (12)
Cs1—P1^iii	3.9607 (9)	P1—O1^xxxviii	3.6823 (12)
Cs1—P1^iv	3.9607 (9)	P1—O1^xxxix	3.6823 (12)
Cs1—P1^v	4.2006 (10)	P1—O2^xl	1.5638 (11)
Cs1—P1^vi	4.2006 (10)	P1—O2^xli	1.5638 (11)
Cs1—O1^vii	4.1926 (9)	P1—O2^xlii	1.5638 (11)
Cs1—O1^viii	4.1926 (9)	P1—O3	1.4757 (11)
Cs1—O1^ix	3.3839 (15)	P1—H1^xxxi	2.2036 (18)
Cs1—O1^x	3.3839 (15)	P1—H1^xxxiii	2.2036 (18)
Cs1—O1^xi	3.2724 (11)	P1—H1^xxxv	2.2036 (18)
Cs1—O1^xii	3.2724 (11)	P1—H1^xxxvii	4.2789 (17)
Cs1—O2^xiii	3.2546 (8)	P1—H1^xxxviii	4.2789 (17)
Cs1—O2^xiv	3.2546 (8)	P1—H1^xxxix	4.2789 (17)
Cs1—O2^xv	3.2317 (12)	O1—O1^xliii	2.4185 (11)
Cs1—O2^xvi	3.2317 (12)	O1—O1^xliv	2.4103 (13)
Cs1—O2^xvii	4.1554 (11)	O1—O1^xlv	2.4103 (13)
Cs1—O2^xviii	4.1554 (11)	O1—O2^xlvi	4.1345 (12)
Cs1—O3^v	3.1724 (10)	O1—O2^i	2.5592 (12)
Cs1—O3^vi	3.1724 (10)	O1—O2^xlvii	4.1576 (12)
Cs1—H1^xix	4.0332 (18)	O1—O2^xlviii	3.2930 (11)
Cs1—H1^xx	4.0332 (18)	O1—O2^xlix	3.9119 (12)
Cs1—H1^vii	3.4283 (15)	O1—O2^l	3.3098 (12)
Cs1—H1^viii	3.4283 (15)	O1—O3^li	3.6005 (12)
Cs1—H1^ix	3.6633 (18)	O1—O3^xxii	3.6845 (12)
Cs1—H1^x	3.6633 (18)	O1—O3^lii	3.9336 (13)
Cs1—H1^xi	4.2143 (18)	O1—H1	1.5442 (18)
Cs1—H1^xii	4.2143 (18)	O1—H1^xliii	3.3395 (17)
S1—P1^xxi	4.0534 (8)	O1—H1^liii	4.0638 (18)
S1—P1^xxii	4.0534 (8)	O1—H1^liv	3.7233 (17)
S1—P1^v	4.0534 (8)	O1—H1^xliv	3.7447 (18)
S1—P1^vi	4.0534 (8)	O1—H1^xlv	2.7017 (18)
S1—O1^xxiii	1.4777 (9)	O2—O2^lv	2.4576 (12)
S1—O1^xxiv	1.4777 (9)	O2—O2^lvi	2.4576 (12)
S1—O1^ix	1.4777 (9)	O2—O2^lvii	4.0543 (12)
S1—O1^x	1.4777 (9)	O2—O2^lviii	4.0543 (12)
S1—O2^xxv	4.2022 (8)	O2—O3^lix	2.5619 (11)
S1—O2^xxvi	4.2022 (8)	O2—O3^lx	4.4042 (12)
S1—O2^xxvii	3.4684 (8)	O2—H1^lxi	3.3775 (18)
S1—O2^xxviii	3.4684 (8)	O2—H1^lxii	1.0151 (18)
S1—O2^xxix	4.2022 (8)	O2—H1^lxiii	2.9687 (18)
S1—O2^xxx	4.2022 (8)	O2—H1^lxiv	3.5601 (17)
S1—O2^xvii	3.4684 (8)	O2—H1^lxv	3.8069 (17)
S1—O2^xviii	3.4684 (8)	O2—H1^lxvi	4.4161 (18)
S1—O3^xxi	3.9600 (8)	O3—H1^xxxi	2.7426 (17)
S1—O3^xxii	3.9600 (8)	O3—H1^xxxiii	2.7426 (17)
S1—O3^v	3.9600 (8)	O3—H1^xxxv	2.7426 (17)
S1—O3^vi	3.9600 (8)	O3—H1^xxxvii	4.2767 (17)
S1—H1^xxiii	2.5556 (16)	O3—H1^xxxviii	4.2767 (17)
S1—H1^xxiv	2.5556 (16)	O3—H1^xxxix	4.2767 (17)
S1—H1^ix	2.5556 (16)	H1—H1^lxvii	3.806 (2)
S1—H1^x	2.5556 (16)	H1—H1^lxviii	3.806 (2)
P1—O1^xxxi	3.5371 (12)	H1—H1^liii	3.563 (2)
P1—O1^xxxii	4.2919 (11)	H1—H1^liv	3.563 (2)
P1—O1^xxxiii	3.5371 (12)	H1—H1^xliv	3.961 (2)
P1—O1^xxxiv	4.2919 (11)	H1—H1^xlv	3.961 (2)
S1—Cs1—S1^i	109.596 (15)	P1^xxii—O1—P1^lii	104.19 (3)
S1—Cs1—S1^ii	109.596 (15)	P1^xxii—O1—O1^xliii	55.50 (3)
S1—Cs1—P1^iii	111.98 (2)	P1^xxii—O1—O1^xliv	106.09 (3)
S1—Cs1—P1^iv	111.98 (2)	P1^xxii—O1—O1^xlv	58.95 (3)
S1—Cs1—P1^v	59.113 (18)	P1^xxii—O1—O2^xlvi	137.67 (3)
S1—Cs1—P1^vi	59.113 (18)	P1^xxii—O1—O2^i	152.49 (4)
S1—Cs1—O1^vii	94.30 (2)	P1^xxii—O1—O2^xlvii	21.254 (16)
S1—Cs1—O1^viii	94.30 (2)	P1^xxii—O1—O2^xlviii	114.40 (3)
S1—Cs1—O1^ix	20.938 (15)	P1^xxii—O1—O2^xlix	90.27 (2)
S1—Cs1—O1^x	20.938 (15)	P1^xxii—O1—O2^l	79.15 (2)
S1—Cs1—O1^xi	124.83 (2)	P1^xxii—O1—O3^li	110.07 (3)
S1—Cs1—O1^xii	124.83 (2)	P1^xxii—O1—O3^xxii	19.472 (17)
S1—Cs1—O2^xiii	92.93 (3)	P1^xxii—O1—O3^lii	115.33 (3)
S1—Cs1—O2^xiv	92.93 (3)	P1^xxii—O1—H1	152.60 (7)
S1—Cs1—O2^xv	131.98 (2)	P1^xxii—O1—H1^xliii	30.43 (3)
S1—Cs1—O2^xvi	131.98 (2)	P1^xxii—O1—H1^liii	102.51 (3)
S1—Cs1—O2^xvii	50.236 (17)	P1^xxii—O1—H1^liv	129.32 (3)
S1—Cs1—O2^xviii	50.236 (17)	P1^xxii—O1—H1^xliv	96.55 (3)
S1—Cs1—O3^v	65.72 (2)	P1^xxii—O1—H1^xlv	71.37 (4)
S1—Cs1—O3^vi	65.72 (2)	P1^lii—O1—O1^xliii	126.35 (4)
S1—Cs1—H1^xix	141.43 (2)	P1^lii—O1—O1^xliv	86.93 (4)
S1—Cs1—H1^xx	141.43 (2)	P1^lii—O1—O1^xlv	67.27 (3)
S1—Cs1—H1^vii	93.88 (3)	P1^lii—O1—O2^xlvi	109.75 (3)
S1—Cs1—H1^viii	93.88 (3)	P1^lii—O1—O2^i	102.00 (3)
S1—Cs1—H1^ix	38.58 (3)	P1^lii—O1—O2^xlvii	113.22 (3)
S1—Cs1—H1^x	38.58 (3)	P1^lii—O1—O2^xlviii	25.12 (2)
S1—Cs1—H1^xi	143.37 (2)	P1^lii—O1—O2^xlix	106.41 (3)
S1—Cs1—H1^xii	143.37 (2)	P1^lii—O1—O2^l	25.13 (2)
S1^i—Cs1—S1^ii	140.81 (3)	P1^lii—O1—O3^li	145.36 (3)
S1^i—Cs1—P1^iii	105.81 (2)	P1^lii—O1—O3^xxii	108.93 (3)
S1^i—Cs1—P1^iv	58.437 (13)	P1^lii—O1—O3^lii	22.027 (18)
S1^i—Cs1—P1^v	56.804 (11)	P1^lii—O1—H1	102.00 (7)
S1^i—Cs1—P1^vi	153.107 (16)	P1^lii—O1—H1^xliii	117.60 (4)
S1^i—Cs1—O1^vii	152.85 (3)	P1^lii—O1—H1^liii	110.09 (3)
S1^i—Cs1—O1^viii	19.926 (12)	P1^lii—O1—H1^liv	34.62 (3)
S1^i—Cs1—O1^ix	93.864 (17)	P1^lii—O1—H1^xliv	100.42 (4)
S1^i—Cs1—O1^x	123.99 (2)	P1^lii—O1—H1^xlv	36.46 (4)
S1^i—Cs1—O1^xi	125.34 (4)	O1^xliii—O1—O1^xliv	59.89 (4)
S1^i—Cs1—O1^xii	15.961 (15)	O1^xliii—O1—O1^xlv	59.89 (4)
S1^i—Cs1—O2^xiii	125.31 (2)	O1^xliii—O1—O2^xlvi	83.75 (3)
S1^i—Cs1—O2^xiv	52.246 (16)	O1^xliii—O1—O2^i	113.25 (4)
S1^i—Cs1—O2^xv	87.76 (2)	O1^xliii—O1—O2^xlvii	34.44 (3)
S1^i—Cs1—O2^xvi	65.818 (18)	O1^xliii—O1—O2^xlviii	151.31 (5)
S1^i—Cs1—O2^xvii	59.423 (12)	O1^xliii—O1—O2^xlix	120.95 (4)
S1^i—Cs1—O2^xviii	159.68 (3)	O1^xliii—O1—O2^l	109.19 (4)
S1^i—Cs1—O3^v	61.602 (15)	O1^xliii—O1—O3^li	72.50 (3)
S1^i—Cs1—O3^vi	138.711 (15)	O1^xliii—O1—O3^xxii	68.74 (3)
S1^i—Cs1—H1^xix	81.38 (3)	O1^xliii—O1—O3^lii	115.28 (4)
S1^i—Cs1—H1^xx	68.00 (2)	O1^xliii—O1—H1	113.00 (7)
S1^i—Cs1—H1^vii	139.53 (3)	O1^xliii—O1—H1^xliii	25.19 (3)
S1^i—Cs1—H1^viii	36.28 (3)	O1^xliii—O1—H1^liii	122.17 (5)
S1^i—Cs1—H1^ix	71.19 (2)	O1^xliii—O1—H1^liv	156.98 (5)
S1^i—Cs1—H1^x	147.87 (4)	O1^xliii—O1—H1^xliv	46.04 (4)
S1^i—Cs1—H1^xi	106.41 (3)	O1^xliii—O1—H1^xlv	93.84 (5)
S1^i—Cs1—H1^xii	34.83 (2)	O1^xliv—O1—O1^xlv	60.22 (4)
S1^ii—Cs1—P1^iii	58.437 (13)	O1^xliv—O1—O2^xlvi	52.77 (3)
S1^ii—Cs1—P1^iv	105.81 (2)	O1^xliv—O1—O2^i	83.46 (4)
S1^ii—Cs1—P1^v	153.107 (16)	O1^xliv—O1—O2^xlvii	87.05 (3)
S1^ii—Cs1—P1^vi	56.804 (11)	O1^xliv—O1—O2^xlviii	105.01 (4)
S1^ii—Cs1—O1^vii	19.926 (12)	O1^xliv—O1—O2^xlix	155.92 (4)
S1^ii—Cs1—O1^viii	152.85 (3)	O1^xliv—O1—O2^l	91.87 (4)
S1^ii—Cs1—O1^ix	123.99 (2)	O1^xliv—O1—O3^li	79.04 (3)
S1^ii—Cs1—O1^x	93.864 (17)	O1^xliv—O1—O3^xxii	124.51 (4)
S1^ii—Cs1—O1^xi	15.961 (15)	O1^xliv—O1—O3^lii	66.02 (3)
S1^ii—Cs1—O1^xii	125.34 (4)	O1^xliv—O1—H1	83.09 (7)
S1^ii—Cs1—O2^xiii	52.246 (16)	O1^xliv—O1—H1^xliii	79.48 (4)
S1^ii—Cs1—O2^xiv	125.31 (2)	O1^xliv—O1—H1^liii	141.76 (4)
S1^ii—Cs1—O2^xv	65.818 (18)	O1^xliv—O1—H1^liv	99.99 (4)
S1^ii—Cs1—O2^xvi	87.76 (2)	O1^xliv—O1—H1^xliv	14.86 (3)
S1^ii—Cs1—O2^xvii	159.68 (3)	O1^xliv—O1—H1^xlv	81.36 (5)
S1^ii—Cs1—O2^xviii	59.423 (12)	O1^xlv—O1—O2^xlvi	112.92 (4)
S1^ii—Cs1—O3^v	138.711 (15)	O1^xlv—O1—O2^i	141.88 (5)
S1^ii—Cs1—O3^vi	61.602 (15)	O1^xlv—O1—O2^xlvii	52.72 (3)
S1^ii—Cs1—H1^xix	68.00 (2)	O1^xlv—O1—O2^xlviii	91.59 (4)
S1^ii—Cs1—H1^xx	81.38 (3)	O1^xlv—O1—O2^xlix	143.29 (4)
S1^ii—Cs1—H1^vii	36.28 (3)	O1^xlv—O1—O2^l	50.19 (3)
S1^ii—Cs1—H1^viii	139.53 (3)	O1^xlv—O1—O3^li	127.95 (4)
S1^ii—Cs1—H1^ix	147.87 (4)	O1^xlv—O1—O3^xxii	77.28 (3)
S1^ii—Cs1—H1^x	71.19 (2)	O1^xlv—O1—O3^lii	63.98 (3)
S1^ii—Cs1—H1^xi	34.83 (2)	O1^xlv—O1—H1	141.54 (8)
S1^ii—Cs1—H1^xii	106.41 (3)	O1^xlv—O1—H1^xliii	53.11 (4)
P1^iii—Cs1—P1^iv	136.04 (4)	O1^xlv—O1—H1^liii	157.75 (4)
P1^iii—Cs1—P1^v	101.069 (16)	O1^xlv—O1—H1^liv	101.55 (4)
P1^iii—Cs1—P1^vi	101.085 (16)	O1^xlv—O1—H1^xliv	61.26 (4)
P1^iii—Cs1—O1^vii	51.325 (17)	O1^xlv—O1—H1^xlv	34.57 (4)
P1^iii—Cs1—O1^viii	124.66 (2)	O2^xlvi—O1—O2^i	33.71 (2)
P1^iii—Cs1—O1^ix	131.40 (3)	O2^xlvi—O1—O2^xlvii	117.84 (2)
P1^iii—Cs1—O1^x	92.17 (2)	O2^xlvi—O1—O2^xlviii	106.99 (3)
P1^iii—Cs1—O1^xi	60.32 (2)	O2^xlvi—O1—O2^xlix	103.31 (3)
P1^iii—Cs1—O1^xii	93.88 (3)	O2^xlvi—O1—O2^l	130.56 (3)
P1^iii—Cs1—O2^xiii	22.409 (19)	O2^xlvi—O1—O3^li	37.896 (19)
P1^iii—Cs1—O2^xiv	152.41 (4)	O2^xlvi—O1—O3^xxii	140.87 (3)
P1^iii—Cs1—O2^xv	22.296 (19)	O2^xlvi—O1—O3^lii	90.58 (2)
P1^iii—Cs1—O2^xvi	115.12 (4)	O2^xlvi—O1—H1	33.36 (6)
P1^iii—Cs1—O2^xvii	122.111 (18)	O2^xlvi—O1—H1^xliii	108.71 (3)
P1^iii—Cs1—O2^xviii	86.974 (17)	O2^xlvi—O1—H1^liii	89.00 (3)
P1^iii—Cs1—O3^v	84.396 (19)	O2^xlvi—O1—H1^liv	92.54 (3)
P1^iii—Cs1—O3^vi	113.917 (19)	O2^xlvi—O1—H1^xliv	53.45 (3)
P1^iii—Cs1—H1^xix	31.99 (3)	O2^xlvi—O1—H1^xlv	128.06 (5)
P1^iii—Cs1—H1^xx	105.24 (4)	O2^i—O1—O2^xlvii	142.91 (4)
P1^iii—Cs1—H1^vii	33.73 (3)	O2^i—O1—O2^xlviii	86.75 (3)
P1^iii—Cs1—H1^viii	141.35 (4)	O2^i—O1—O2^xlix	74.31 (3)
P1^iii—Cs1—H1^ix	127.23 (3)	O2^i—O1—O2^l	127.07 (4)
P1^iii—Cs1—H1^x	88.87 (3)	O2^i—O1—O3^li	45.36 (3)
P1^iii—Cs1—H1^xi	63.03 (3)	O2^i—O1—O3^xxii	138.42 (4)
P1^iii—Cs1—H1^xii	81.53 (3)	O2^i—O1—O3^lii	92.16 (3)
P1^iv—Cs1—P1^v	101.085 (16)	O2^i—O1—H1	0.37 (6)
P1^iv—Cs1—P1^vi	101.069 (16)	O2^i—O1—H1^xliii	135.51 (4)
P1^iv—Cs1—O1^vii	124.66 (2)	O2^i—O1—H1^liii	60.03 (3)
P1^iv—Cs1—O1^viii	51.325 (17)	O2^i—O1—H1^liv	71.90 (4)
P1^iv—Cs1—O1^ix	92.17 (2)	O2^i—O1—H1^xliv	86.80 (4)
P1^iv—Cs1—O1^x	131.40 (3)	O2^i—O1—H1^xlv	136.12 (5)
P1^iv—Cs1—O1^xi	93.88 (3)	O2^xlvii—O1—O2^xlviii	130.32 (3)
P1^iv—Cs1—O1^xii	60.32 (2)	O2^xlvii—O1—O2^xlix	105.08 (3)
P1^iv—Cs1—O2^xiii	152.41 (4)	O2^xlvii—O1—O2^l	88.91 (3)
P1^iv—Cs1—O2^xiv	22.409 (19)	O2^xlvii—O1—O3^li	97.64 (3)
P1^iv—Cs1—O2^xv	115.12 (4)	O2^xlvii—O1—O3^xxii	37.526 (19)
P1^iv—Cs1—O2^xvi	22.296 (19)	O2^xlvii—O1—O3^lii	116.34 (3)
P1^iv—Cs1—O2^xvii	86.974 (17)	O2^xlvii—O1—H1	142.79 (7)
P1^iv—Cs1—O2^xviii	122.111 (18)	O2^xlvii—O1—H1^xliii	9.25 (3)
P1^iv—Cs1—O3^v	113.917 (19)	O2^xlvii—O1—H1^liii	114.54 (3)
P1^iv—Cs1—O3^vi	84.396 (19)	O2^xlvii—O1—H1^liv	145.18 (4)
P1^iv—Cs1—H1^xix	105.24 (4)	O2^xlvii—O1—H1^xliv	76.08 (3)
P1^iv—Cs1—H1^xx	31.99 (3)	O2^xlvii—O1—H1^xlv	76.93 (4)
P1^iv—Cs1—H1^vii	141.35 (4)	O2^xlviii—O1—O2^xlix	83.18 (2)
P1^iv—Cs1—H1^viii	33.73 (3)	O2^xlviii—O1—O2^l	43.70 (2)
P1^iv—Cs1—H1^ix	88.87 (3)	O2^xlviii—O1—O3^li	131.75 (3)
P1^iv—Cs1—H1^x	127.23 (3)	O2^xlviii—O1—O3^xxii	110.45 (3)
P1^iv—Cs1—H1^xi	81.53 (3)	O2^xlviii—O1—O3^lii	40.32 (2)
P1^iv—Cs1—H1^xii	63.03 (3)	O2^xlviii—O1—H1	86.88 (7)
P1^v—Cs1—P1^vi	118.23 (3)	O2^xlviii—O1—H1^xliii	137.33 (4)
P1^v—Cs1—O1^vii	133.79 (2)	O2^xlviii—O1—H1^liii	85.21 (3)
P1^v—Cs1—O1^viii	52.045 (16)	O2^xlviii—O1—H1^liv	15.09 (3)
P1^v—Cs1—O1^ix	54.31 (2)	O2^xlviii—O1—H1^xliv	119.75 (4)
P1^v—Cs1—O1^x	67.94 (2)	O2^xlviii—O1—H1^xlv	58.38 (4)
P1^v—Cs1—O1^xi	161.38 (2)	O2^xlix—O1—O2^l	108.79 (3)
P1^v—Cs1—O1^xii	68.818 (18)	O2^xlix—O1—O3^li	78.77 (3)
P1^v—Cs1—O2^xiii	101.91 (2)	O2^xlix—O1—O3^xxii	70.80 (2)
P1^v—Cs1—O2^xiv	81.14 (2)	O2^xlix—O1—O3^lii	123.04 (3)
P1^v—Cs1—O2^xv	102.316 (18)	O2^xlix—O1—H1	74.67 (7)
P1^v—Cs1—O2^xvi	118.256 (18)	O2^xlix—O1—H1^xliii	110.10 (4)
P1^v—Cs1—O2^xvii	21.563 (16)	O2^xlix—O1—H1^liii	14.46 (3)
P1^v—Cs1—O2^xviii	105.86 (3)	O2^xlix—O1—H1^liv	82.03 (3)
P1^v—Cs1—O3^v	16.673 (19)	O2^xlix—O1—H1^xliv	149.75 (4)
P1^v—Cs1—O3^vi	122.40 (4)	O2^xlix—O1—H1^xlv	121.27 (4)
P1^v—Cs1—H1^xix	104.67 (2)	O2^l—O1—O3^li	168.45 (4)
P1^v—Cs1—H1^xx	123.34 (3)	O2^l—O1—O3^xxii	85.89 (3)
P1^v—Cs1—H1^vii	117.04 (3)	O2^l—O1—O3^lii	40.28 (2)
P1^v—Cs1—H1^viii	67.36 (3)	O2^l—O1—H1	127.08 (7)
P1^v—Cs1—H1^ix	31.61 (3)	O2^l—O1—H1^xliii	94.43 (4)
P1^v—Cs1—H1^x	92.81 (4)	O2^l—O1—H1^liii	118.28 (3)
P1^v—Cs1—H1^xi	154.68 (3)	O2^l—O1—H1^liv	57.04 (3)
P1^v—Cs1—H1^xii	85.41 (2)	O2^l—O1—H1^xliv	101.44 (4)
P1^vi—Cs1—O1^vii	52.045 (16)	O2^l—O1—H1^xlv	15.62 (4)
P1^vi—Cs1—O1^viii	133.79 (2)	O3^li—O1—O3^xxii	105.10 (3)
P1^vi—Cs1—O1^ix	67.94 (2)	O3^li—O1—O3^lii	128.32 (3)
P1^vi—Cs1—O1^x	54.31 (2)	O3^li—O1—H1	45.27 (6)
P1^vi—Cs1—O1^xi	68.818 (18)	O3^li—O1—H1^xliii	90.92 (4)
P1^vi—Cs1—O1^xii	161.38 (2)	O3^li—O1—H1^liii	67.52 (3)
P1^vi—Cs1—O2^xiii	81.14 (2)	O3^li—O1—H1^liv	117.16 (4)
P1^vi—Cs1—O2^xiv	101.91 (2)	O3^li—O1—H1^xliv	71.19 (3)
P1^vi—Cs1—O2^xv	118.256 (18)	O3^li—O1—H1^xlv	159.91 (5)
P1^vi—Cs1—O2^xvi	102.316 (18)	O3^xxii—O1—O3^lii	125.79 (3)
P1^vi—Cs1—O2^xvii	105.86 (3)	O3^xxii—O1—H1	138.66 (8)
P1^vi—Cs1—O2^xviii	21.563 (16)	O3^xxii—O1—H1^xliii	45.64 (3)
P1^vi—Cs1—O3^v	122.40 (4)	O3^xxii—O1—H1^liii	83.22 (3)
P1^vi—Cs1—O3^vi	16.673 (19)	O3^xxii—O1—H1^liv	123.44 (3)
P1^vi—Cs1—H1^xix	123.34 (3)	O3^xxii—O1—H1^xliv	113.35 (3)
P1^vi—Cs1—H1^xx	104.67 (2)	O3^xxii—O1—H1^xlv	82.54 (4)
P1^vi—Cs1—H1^vii	67.36 (3)	O3^lii—O1—H1	92.04 (7)
P1^vi—Cs1—H1^viii	117.04 (3)	O3^lii—O1—H1^xliii	116.95 (4)
P1^vi—Cs1—H1^ix	92.81 (4)	O3^lii—O1—H1^liii	122.11 (3)
P1^vi—Cs1—H1^x	31.61 (3)	O3^lii—O1—H1^liv	41.87 (3)
P1^vi—Cs1—H1^xi	85.41 (2)	O3^lii—O1—H1^xliv	80.24 (3)
P1^vi—Cs1—H1^xii	154.68 (3)	O3^lii—O1—H1^xlv	44.15 (4)
O1^vii—Cs1—O1^viii	171.39 (4)	H1—O1—H1^xliii	135.34 (7)
O1^vii—Cs1—O1^ix	112.25 (3)	H1—O1—H1^liii	60.39 (7)
O1^vii—Cs1—O1^x	76.20 (2)	H1—O1—H1^liv	72.02 (7)
O1^vii—Cs1—O1^xi	35.002 (19)	H1—O1—H1^xliv	86.43 (7)
O1^vii—Cs1—O1^xii	137.17 (4)	H1—O1—H1^xlv	136.03 (8)
O1^vii—Cs1—O2^xiii	37.60 (2)	H1^xliii—O1—H1^liii	117.76 (4)
O1^vii—Cs1—O2^xiv	141.68 (2)	H1^xliii—O1—H1^liv	151.47 (5)
O1^vii—Cs1—O2^xv	66.22 (2)	H1^xliii—O1—H1^xliv	67.71 (4)
O1^vii—Cs1—O2^xvi	107.63 (3)	H1^xliii—O1—H1^xlv	81.19 (5)
O1^vii—Cs1—O2^xvii	141.70 (3)	H1^liii—O1—H1^liv	80.32 (3)
O1^vii—Cs1—O2^xviii	46.462 (16)	H1^liii—O1—H1^xliv	138.31 (4)
O1^vii—Cs1—O3^v	121.27 (2)	H1^liii—O1—H1^xlv	132.42 (5)
O1^vii—Cs1—O3^vi	62.778 (19)	H1^liv—O1—H1^xliv	114.72 (4)
O1^vii—Cs1—H1^xix	71.77 (3)	H1^liv—O1—H1^xlv	70.62 (5)
O1^vii—Cs1—H1^xx	101.27 (3)	H1^xliv—O1—H1^xlv	88.73 (5)
O1^vii—Cs1—H1^vii	20.39 (3)	S1^lxxiii—O2—S1^lxxiv	124.84 (2)
O1^vii—Cs1—H1^viii	158.00 (3)	S1^lxxiii—O2—P1^lix	73.77 (4)
O1^vii—Cs1—H1^ix	132.47 (4)	S1^lxxiii—O2—O1^lxii	111.43 (3)
O1^vii—Cs1—H1^x	56.09 (3)	S1^lxxiii—O2—O1^lxxv	109.21 (2)
O1^vii—Cs1—H1^xi	52.90 (2)	S1^lxxiii—O2—O1^lxiii	20.398 (13)
O1^vii—Cs1—H1^xii	118.87 (3)	S1^lxxiii—O2—O1^lxiv	18.015 (18)
O1^viii—Cs1—O1^ix	76.20 (2)	S1^lxxiii—O2—O1^lxv	112.80 (2)
O1^viii—Cs1—O1^x	112.25 (3)	S1^lxxiii—O2—O1^lxvi	143.85 (3)
O1^viii—Cs1—O1^xi	137.17 (4)	S1^lxxiii—O2—O2^lv	55.60 (3)
O1^viii—Cs1—O1^xii	35.002 (19)	S1^lxxiii—O2—O2^lvi	110.25 (3)
O1^viii—Cs1—O2^xiii	141.68 (2)	S1^lxxiii—O2—O2^lvii	117.31 (2)
O1^viii—Cs1—O2^xiv	37.60 (2)	S1^lxxiii—O2—O2^lviii	49.640 (15)
O1^viii—Cs1—O2^xv	107.63 (3)	S1^lxxiii—O2—O3^lix	66.63 (3)
O1^viii—Cs1—O2^xvi	66.22 (2)	S1^lxxiii—O2—O3^lx	109.32 (2)
O1^viii—Cs1—O2^xvii	46.462 (16)	S1^lxxiii—O2—H1^lxi	105.07 (3)
O1^viii—Cs1—O2^xviii	141.70 (3)	S1^lxxiii—O2—H1^lxii	111.87 (10)
O1^viii—Cs1—O3^v	62.778 (19)	S1^lxxiii—O2—H1^lxiii	36.94 (3)
O1^viii—Cs1—O3^vi	121.27 (2)	S1^lxxiii—O2—H1^lxiv	37.30 (3)
O1^viii—Cs1—H1^xix	101.27 (3)	S1^lxxiii—O2—H1^lxv	117.03 (3)
O1^viii—Cs1—H1^xx	71.77 (3)	S1^lxxiii—O2—H1^lxvi	135.35 (3)
O1^viii—Cs1—H1^vii	158.00 (3)	S1^lxxiv—O2—P1^lix	100.38 (5)
O1^viii—Cs1—H1^viii	20.39 (3)	S1^lxxiv—O2—O1^lxii	22.55 (2)
O1^viii—Cs1—H1^ix	56.09 (3)	S1^lxxiv—O2—O1^lxxv	19.821 (14)
O1^viii—Cs1—H1^x	132.47 (4)	S1^lxxiv—O2—O1^lxiii	134.13 (3)
O1^viii—Cs1—H1^xi	118.87 (3)	S1^lxxiv—O2—O1^lxiv	125.62 (3)
O1^viii—Cs1—H1^xii	52.90 (2)	S1^lxxiv—O2—O1^lxv	100.05 (2)
O1^ix—Cs1—O1^x	41.88 (2)	S1^lxxiv—O2—O1^lxvi	25.043 (16)
O1^ix—Cs1—O1^xi	136.70 (3)	S1^lxxiv—O2—O2^lv	138.55 (3)
O1^ix—Cs1—O1^xii	109.81 (2)	S1^lxxiv—O2—O2^lvi	88.62 (3)
O1^ix—Cs1—O2^xiii	113.66 (3)	S1^lxxiv—O2—O2^lvii	67.398 (19)
O1^ix—Cs1—O2^xiv	72.18 (2)	S1^lxxiv—O2—O2^lviii	89.05 (2)
O1^ix—Cs1—O2^xv	148.32 (3)	S1^lxxiv—O2—O3^lix	80.57 (3)
O1^ix—Cs1—O2^xvi	113.48 (2)	S1^lxxiv—O2—O3^lx	125.80 (2)
O1^ix—Cs1—O2^xvii	37.98 (2)	S1^lxxiv—O2—H1^lxi	86.16 (3)
O1^ix—Cs1—O2^xviii	66.01 (3)	S1^lxxiv—O2—H1^lxii	21.99 (9)
O1^ix—Cs1—O3^v	66.53 (3)	S1^lxxiv—O2—H1^lxiii	139.25 (4)
O1^ix—Cs1—O3^vi	68.30 (3)	S1^lxxiv—O2—H1^lxiv	101.65 (3)
O1^ix—Cs1—H1^xix	155.61 (3)	S1^lxxiv—O2—H1^lxv	79.84 (3)
O1^ix—Cs1—H1^xx	123.35 (3)	S1^lxxiv—O2—H1^lxvi	35.30 (2)
O1^ix—Cs1—H1^vii	114.51 (4)	P1^lix—O2—O1^lxii	116.06 (5)
O1^ix—Cs1—H1^viii	73.24 (3)	P1^lix—O2—O1^lxxv	84.21 (4)
O1^ix—Cs1—H1^ix	24.91 (3)	P1^lix—O2—O1^lxiii	57.08 (4)
O1^ix—Cs1—H1^x	56.40 (3)	P1^lix—O2—O1^lxiv	91.50 (5)
O1^ix—Cs1—H1^xi	150.99 (3)	P1^lix—O2—O1^lxv	148.25 (5)
O1^ix—Cs1—H1^xii	128.65 (3)	P1^lix—O2—O1^lxvi	90.88 (5)
O1^x—Cs1—O1^xi	109.81 (2)	P1^lix—O2—O2^lv	38.21 (4)
O1^x—Cs1—O1^xii	136.70 (3)	P1^lix—O2—O2^lvi	38.21 (4)
O1^x—Cs1—O2^xiii	72.18 (2)	P1^lix—O2—O2^lvii	166.59 (5)
O1^x—Cs1—O2^xiv	113.66 (3)	P1^lix—O2—O2^lviii	113.94 (5)
O1^x—Cs1—O2^xv	113.48 (2)	P1^lix—O2—O3^lix	31.51 (4)
O1^x—Cs1—O2^xvi	148.32 (3)	P1^lix—O2—O3^lx	96.06 (5)
O1^x—Cs1—O2^xvii	66.01 (3)	P1^lix—O2—H1^lxi	31.60 (4)
O1^x—Cs1—O2^xviii	37.98 (2)	P1^lix—O2—H1^lxii	115.76 (11)
O1^x—Cs1—O3^v	68.30 (3)	P1^lix—O2—H1^lxiii	46.40 (5)
O1^x—Cs1—O3^vi	66.53 (3)	P1^lix—O2—H1^lxiv	106.64 (5)
O1^x—Cs1—H1^xix	123.35 (3)	P1^lix—O2—H1^lxv	166.88 (6)
O1^x—Cs1—H1^xx	155.61 (3)	P1^lix—O2—H1^lxvi	74.73 (5)
O1^x—Cs1—H1^vii	73.24 (3)	O1^lxii—O2—O1^lxxv	32.31 (2)
O1^x—Cs1—H1^viii	114.51 (4)	O1^lxii—O2—O1^lxiii	127.44 (4)
O1^x—Cs1—H1^ix	56.40 (3)	O1^lxii—O2—O1^lxiv	106.78 (4)
O1^x—Cs1—H1^x	24.91 (3)	O1^lxii—O2—O1^lxv	91.16 (3)
O1^x—Cs1—H1^xi	128.65 (3)	O1^lxii—O2—O1^lxvi	46.35 (3)
O1^x—Cs1—H1^xii	150.99 (3)	O1^lxii—O2—O2^lv	150.44 (4)
O1^xi—Cs1—O1^xii	110.35 (4)	O1^lxii—O2—O2^lvi	110.98 (4)
O1^xi—Cs1—O2^xiii	60.94 (2)	O1^lxii—O2—O2^lvii	54.18 (3)
O1^xi—Cs1—O2^xiv	115.31 (3)	O1^lxii—O2—O2^lviii	68.27 (3)
O1^xi—Cs1—O2^xv	60.83 (3)	O1^lxii—O2—O3^lix	89.35 (4)
O1^xi—Cs1—O2^xvi	73.94 (3)	O1^lxii—O2—O3^lx	133.45 (4)
O1^xi—Cs1—O2^xvii	174.68 (3)	O1^lxii—O2—H1^lxi	107.88 (4)
O1^xi—Cs1—O2^xviii	74.627 (19)	O1^lxii—O2—H1^lxii	0.56 (9)
O1^xi—Cs1—O3^v	144.71 (3)	O1^lxii—O2—H1^lxiii	140.17 (5)
O1^xi—Cs1—O3^vi	69.72 (2)	O1^lxii—O2—H1^lxiv	81.45 (4)
O1^xi—Cs1—H1^xix	60.22 (3)	O1^lxii—O2—H1^lxv	68.38 (4)
O1^xi—Cs1—H1^xx	66.65 (3)	O1^lxii—O2—H1^lxvi	57.85 (3)
O1^xi—Cs1—H1^vii	47.49 (3)	O1^lxxv—O2—O1^lxiii	115.05 (3)
O1^xi—Cs1—H1^viii	126.76 (4)	O1^lxxv—O2—O1^lxiv	115.17 (3)
O1^xi—Cs1—H1^ix	161.61 (4)	O1^lxxv—O2—O1^lxv	119.44 (3)
O1^xi—Cs1—H1^x	86.79 (3)	O1^lxxv—O2—O1^lxvi	35.41 (2)
O1^xi—Cs1—H1^xi	18.96 (3)	O1^lxxv—O2—O2^lv	121.26 (3)
O1^xi—Cs1—H1^xii	91.67 (4)	O1^lxxv—O2—O2^lvi	82.81 (3)
O1^xii—Cs1—O2^xiii	115.31 (3)	O1^lxxv—O2—O2^lvii	84.80 (2)
O1^xii—Cs1—O2^xiv	60.94 (2)	O1^lxxv—O2—O2^lviii	85.17 (2)
O1^xii—Cs1—O2^xv	73.94 (3)	O1^lxxv—O2—O3^lix	61.17 (3)
O1^xii—Cs1—O2^xvi	60.83 (3)	O1^lxxv—O2—O3^lx	139.88 (3)
O1^xii—Cs1—O2^xvii	74.627 (19)	O1^lxxv—O2—H1^lxi	77.86 (3)
O1^xii—Cs1—O2^xviii	174.68 (3)	O1^lxxv—O2—H1^lxii	31.93 (9)
O1^xii—Cs1—O3^v	69.72 (2)	O1^lxxv—O2—H1^lxiii	119.49 (4)
O1^xii—Cs1—O3^vi	144.71 (3)	O1^lxxv—O2—H1^lxiv	95.56 (3)
O1^xii—Cs1—H1^xix	66.65 (3)	O1^lxxv—O2—H1^lxv	98.19 (3)
O1^xii—Cs1—H1^xx	60.22 (3)	O1^lxxv—O2—H1^lxvi	36.58 (2)
O1^xii—Cs1—H1^vii	126.76 (4)	O1^lxiii—O2—O1^lxiv	35.65 (2)
O1^xii—Cs1—H1^viii	47.49 (3)	O1^lxiii—O2—O1^lxv	119.68 (3)
O1^xii—Cs1—H1^ix	86.79 (3)	O1^lxiii—O2—O1^lxvi	142.74 (3)
O1^xii—Cs1—H1^x	161.61 (4)	O1^lxiii—O2—O2^lv	35.31 (3)
O1^xii—Cs1—H1^xi	91.67 (4)	O1^lxiii—O2—O2^lvi	91.12 (3)
O1^xii—Cs1—H1^xii	18.96 (3)	O1^lxiii—O2—O2^lvii	135.37 (3)
O2^xiii—Cs1—O2^xiv	174.15 (5)	O1^lxiii—O2—O2^lviii	70.00 (2)
O2^xiii—Cs1—O2^xv	44.53 (2)	O1^lxiii—O2—O3^lix	59.68 (3)
O2^xiii—Cs1—O2^xvi	130.14 (4)	O1^lxiii—O2—O3^lx	97.83 (2)
O2^xiii—Cs1—O2^xvii	119.18 (3)	O1^lxiii—O2—H1^lxi	86.98 (3)
O2^xiii—Cs1—O2^xviii	65.02 (2)	O1^lxiii—O2—H1^lxii	127.77 (10)
O2^xiii—Cs1—O3^v	86.50 (2)	O1^lxiii—O2—H1^lxiii	16.62 (3)
O2^xiii—Cs1—O3^vi	95.91 (2)	O1^lxiii—O2—H1^lxiv	57.67 (3)
O2^xiii—Cs1—H1^xix	53.94 (3)	O1^lxiii—O2—H1^lxv	131.39 (3)
O2^xiii—Cs1—H1^xx	120.58 (4)	O1^lxiii—O2—H1^lxvi	128.47 (3)
O2^xiii—Cs1—H1^vii	17.22 (3)	O1^lxiv—O2—O1^lxv	96.05 (3)
O2^xiii—Cs1—H1^viii	161.49 (3)	O1^lxiv—O2—O1^lxvi	149.89 (4)
O2^xiii—Cs1—H1^ix	118.62 (4)	O1^lxiv—O2—O2^lv	68.51 (3)
O2^xiii—Cs1—H1^x	66.47 (3)	O1^lxiv—O2—O2^lvi	126.75 (4)
O2^xiii—Cs1—H1^xi	71.18 (3)	O1^lxiv—O2—O2^lvii	100.13 (3)
O2^xiii—Cs1—H1^xii	103.93 (3)	O1^lxiv—O2—O2^lviii	39.07 (2)
O2^xiv—Cs1—O2^xv	130.14 (4)	O1^lxiv—O2—O3^lix	83.42 (3)
O2^xiv—Cs1—O2^xvi	44.53 (2)	O1^lxiv—O2—O3^lx	104.94 (3)
O2^xiv—Cs1—O2^xvii	65.02 (2)	O1^lxiv—O2—H1^lxi	122.41 (4)
O2^xiv—Cs1—O2^xviii	119.18 (3)	O1^lxiv—O2—H1^lxii	107.30 (10)
O2^xiv—Cs1—O3^v	95.91 (2)	O1^lxiv—O2—H1^lxiii	50.80 (4)
O2^xiv—Cs1—O3^vi	86.50 (2)	O1^lxiv—O2—H1^lxiv	25.66 (3)
O2^xiv—Cs1—H1^xix	120.58 (4)	O1^lxiv—O2—H1^lxv	99.03 (3)
O2^xiv—Cs1—H1^xx	53.94 (3)	O1^lxiv—O2—H1^lxvi	148.38 (3)
O2^xiv—Cs1—H1^vii	161.49 (3)	O1^lxv—O2—O1^lxvi	97.56 (3)
O2^xiv—Cs1—H1^viii	17.22 (3)	O1^lxv—O2—O2^lv	118.12 (4)
O2^xiv—Cs1—H1^ix	66.47 (3)	O1^lxv—O2—O2^lvi	118.81 (4)
O2^xiv—Cs1—H1^x	118.62 (4)	O1^lxv—O2—O2^lvii	37.425 (18)
O2^xiv—Cs1—H1^xi	103.93 (3)	O1^lxv—O2—O2^lviii	90.43 (2)
O2^xiv—Cs1—H1^xii	71.18 (3)	O1^lxv—O2—O3^lix	179.35 (4)
O2^xv—Cs1—O2^xvi	96.04 (4)	O1^lxv—O2—O3^lx	52.190 (19)
O2^xv—Cs1—O2^xvii	123.434 (18)	O1^lxv—O2—H1^lxi	127.30 (4)
O2^xv—Cs1—O2^xviii	107.739 (18)	O1^lxv—O2—H1^lxii	91.31 (10)
O2^xv—Cs1—O3^v	86.89 (2)	O1^lxv—O2—H1^lxiii	120.46 (4)
O2^xv—Cs1—O3^vi	127.17 (2)	O1^lxv—O2—H1^lxiv	92.66 (3)
O2^xv—Cs1—H1^xix	9.90 (3)	O1^lxv—O2—H1^lxv	23.03 (3)
O2^xv—Cs1—H1^xx	86.51 (4)	O1^lxv—O2—H1^lxvi	110.71 (3)
O2^xv—Cs1—H1^vii	52.84 (3)	O1^lxvi—O2—O2^lv	126.05 (4)
O2^xv—Cs1—H1^viii	120.89 (4)	O1^lxvi—O2—O2^lvi	67.79 (3)
O2^xv—Cs1—H1^ix	133.52 (3)	O1^lxvi—O2—O2^lvii	75.71 (2)
O2^xv—Cs1—H1^x	110.93 (3)	O1^lxvi—O2—O2^lviii	114.05 (3)
O2^xv—Cs1—H1^xi	55.24 (3)	O1^lxvi—O2—O3^lix	83.08 (3)
O2^xv—Cs1—H1^xii	59.78 (3)	O1^lxvi—O2—O3^lx	104.64 (3)
O2^xvi—Cs1—O2^xvii	107.739 (18)	O1^lxvi—O2—H1^lxi	67.66 (3)
O2^xvi—Cs1—O2^xviii	123.434 (18)	O1^lxvi—O2—H1^lxii	45.79 (9)
O2^xvi—Cs1—O3^v	127.17 (2)	O1^lxvi—O2—H1^lxiii	137.14 (4)
O2^xvi—Cs1—O3^vi	86.89 (2)	O1^lxvi—O2—H1^lxiv	126.69 (4)
O2^xvi—Cs1—H1^xix	86.51 (4)	O1^lxvi—O2—H1^lxv	83.94 (3)
O2^xvi—Cs1—H1^xx	9.90 (3)	O1^lxvi—O2—H1^lxvi	16.20 (2)
O2^xvi—Cs1—H1^vii	120.89 (4)	O2^lv—O2—O2^lvi	60.00 (3)
O2^xvi—Cs1—H1^viii	52.84 (3)	O2^lv—O2—O2^lvii	153.87 (4)
O2^xvi—Cs1—H1^ix	110.93 (3)	O2^lv—O2—O2^lviii	105.24 (3)
O2^xvi—Cs1—H1^x	133.52 (3)	O2^lv—O2—O3^lix	61.34 (3)
O2^xvi—Cs1—H1^xi	59.78 (3)	O2^lv—O2—O3^lx	73.80 (3)
O2^xvi—Cs1—H1^xii	55.24 (3)	O2^lv—O2—H1^lxi	58.66 (4)
O2^xvii—Cs1—O2^xviii	100.47 (3)	O2^lv—O2—H1^lxii	150.37 (11)
O2^xvii—Cs1—O3^v	38.03 (2)	O2^lv—O2—H1^lxiii	18.69 (4)
O2^xvii—Cs1—O3^vi	105.17 (3)	O2^lv—O2—H1^lxiv	92.58 (4)
O2^xvii—Cs1—H1^xix	124.60 (2)	O2^lv—O2—H1^lxv	140.43 (4)
O2^xvii—Cs1—H1^xx	115.62 (2)	O2^lv—O2—H1^lxvi	110.16 (4)
O2^xvii—Cs1—H1^vii	131.33 (4)	O2^lvi—O2—O2^lvii	132.32 (4)
O2^xvii—Cs1—H1^viii	54.99 (3)	O2^lvi—O2—O2^lviii	150.62 (4)
O2^xvii—Cs1—H1^ix	13.07 (3)	O2^lvi—O2—O3^lix	61.34 (3)
O2^xvii—Cs1—H1^x	88.51 (4)	O2^lvi—O2—O3^lx	73.80 (3)
O2^xvii—Cs1—H1^xi	165.31 (3)	O2^lvi—O2—H1^lxi	8.55 (3)
O2^xvii—Cs1—H1^xii	93.40 (2)	O2^lvi—O2—H1^lxii	110.44 (10)
O2^xviii—Cs1—O3^v	105.17 (3)	O2^lvi—O2—H1^lxiii	76.34 (4)
O2^xviii—Cs1—O3^vi	38.03 (2)	O2^lvi—O2—H1^lxiv	144.85 (4)
O2^xviii—Cs1—H1^xix	115.62 (2)	O2^lvi—O2—H1^lxv	129.05 (4)
O2^xviii—Cs1—H1^xx	124.60 (2)	O2^lvi—O2—H1^lxvi	53.64 (3)
O2^xviii—Cs1—H1^vii	54.99 (3)	O2^lvii—O2—O2^lviii	72.68 (2)
O2^xviii—Cs1—H1^viii	131.33 (4)	O2^lvii—O2—O3^lix	143.02 (4)
O2^xviii—Cs1—H1^ix	88.51 (4)	O2^lvii—O2—O3^lx	87.43 (2)
O2^xviii—Cs1—H1^x	13.07 (3)	O2^lvii—O2—H1^lxi	137.46 (4)
O2^xviii—Cs1—H1^xi	93.40 (2)	O2^lvii—O2—H1^lxii	54.39 (9)
O2^xviii—Cs1—H1^xii	165.31 (3)	O2^lvii—O2—H1^lxiii	146.97 (4)
O3^v—Cs1—O3^vi	131.44 (5)	O2^lvii—O2—H1^lxiv	82.06 (3)
O3^v—Cs1—H1^xix	90.50 (3)	O2^lvii—O2—H1^lxv	14.40 (3)
O3^v—Cs1—H1^xx	129.36 (3)	O2^lvii—O2—H1^lxvi	91.86 (3)
O3^v—Cs1—H1^vii	102.58 (3)	O2^lviii—O2—O3^lix	89.40 (3)
O3^v—Cs1—H1^viii	80.67 (3)	O2^lviii—O2—O3^lx	129.44 (3)
O3^v—Cs1—H1^ix	46.63 (3)	O2^lviii—O2—H1^lxi	142.23 (4)
O3^v—Cs1—H1^x	92.51 (4)	O2^lviii—O2—H1^lxii	68.81 (10)
O3^v—Cs1—H1^xi	141.64 (3)	O2^lviii—O2—H1^lxiii	86.58 (4)
O3^v—Cs1—H1^xii	82.87 (3)	O2^lviii—O2—H1^lxiv	13.40 (3)
O3^vi—Cs1—H1^xix	129.36 (3)	O2^lviii—O2—H1^lxv	79.16 (3)
O3^vi—Cs1—H1^xx	90.50 (3)	O2^lviii—O2—H1^lxvi	121.47 (3)
O3^vi—Cs1—H1^vii	80.67 (3)	O3^lix—O2—O3^lx	127.57 (3)
O3^vi—Cs1—H1^viii	102.58 (3)	O3^lix—O2—H1^lxi	52.86 (3)
O3^vi—Cs1—H1^ix	92.51 (4)	O3^lix—O2—H1^lxii	89.21 (10)
O3^vi—Cs1—H1^x	46.63 (3)	O3^lix—O2—H1^lxiii	58.91 (4)
O3^vi—Cs1—H1^xi	82.87 (3)	O3^lix—O2—H1^lxiv	87.02 (4)
O3^vi—Cs1—H1^xii	141.64 (3)	O3^lix—O2—H1^lxv	157.42 (4)
H1^xix—Cs1—H1^xx	77.14 (4)	O3^lix—O2—H1^lxvi	69.90 (3)
H1^xix—Cs1—H1^vii	60.70 (4)	O3^lx—O2—H1^lxi	81.79 (3)
H1^xix—Cs1—H1^viii	112.55 (4)	O3^lx—O2—H1^lxii	133.26 (10)
H1^xix—Cs1—H1^ix	136.26 (3)	O3^lx—O2—H1^lxiii	86.37 (4)
H1^xix—Cs1—H1^x	120.00 (3)	O3^lx—O2—H1^lxiv	122.22 (3)
H1^xix—Cs1—H1^xi	51.14 (3)	O3^lx—O2—H1^lxv	73.75 (3)
H1^xix—Cs1—H1^xii	51.14 (3)	O3^lx—O2—H1^lxvi	104.73 (3)
H1^xx—Cs1—H1^vii	112.55 (4)	H1^lxi—O2—H1^lxii	107.37 (10)
H1^xx—Cs1—H1^viii	60.70 (4)	H1^lxi—O2—H1^lxiii	73.38 (4)
H1^xx—Cs1—H1^ix	120.00 (3)	H1^lxi—O2—H1^lxiv	137.63 (4)
H1^xx—Cs1—H1^x	136.26 (3)	H1^lxi—O2—H1^lxv	136.20 (4)
H1^xx—Cs1—H1^xi	51.14 (3)	H1^lxi—O2—H1^lxvi	52.37 (3)
H1^xx—Cs1—H1^xii	51.14 (3)	H1^lxii—O2—H1^lxiii	140.36 (11)
H1^vii—Cs1—H1^viii	172.23 (5)	H1^lxii—O2—H1^lxiv	81.98 (10)
H1^vii—Cs1—H1^ix	127.06 (4)	H1^lxii—O2—H1^lxv	68.56 (10)
H1^vii—Cs1—H1^x	60.22 (4)	H1^lxii—O2—H1^lxvi	57.29 (10)
H1^vii—Cs1—H1^xi	61.41 (3)	H1^lxiii—O2—H1^lxiv	74.07 (4)
H1^vii—Cs1—H1^xii	111.70 (4)	H1^lxiii—O2—H1^lxv	138.36 (5)
H1^viii—Cs1—H1^ix	60.22 (4)	H1^lxiii—O2—H1^lxvi	121.07 (4)
H1^viii—Cs1—H1^x	127.06 (4)	H1^lxiv—O2—H1^lxv	86.03 (4)
H1^viii—Cs1—H1^xi	111.70 (4)	H1^lxiv—O2—H1^lxvi	132.12 (4)
H1^viii—Cs1—H1^xii	61.41 (3)	H1^lxv—O2—H1^lxvi	99.50 (4)
H1^ix—Cs1—H1^x	77.15 (4)	S1^lxix—O3—S1^lxx	118.53 (2)
H1^ix—Cs1—H1^xi	169.69 (3)	S1^lxix—O3—S1^lxxi	118.53 (2)
H1^ix—Cs1—H1^xii	105.72 (3)	S1^lxix—O3—P1	82.98 (4)
H1^x—Cs1—H1^xi	105.72 (3)	S1^lxix—O3—O1^xxxi	135.82 (3)
H1^x—Cs1—H1^xii	169.69 (3)	S1^lxix—O3—O1^xxxii	115.40 (2)
H1^xi—Cs1—H1^xii	73.26 (4)	S1^lxix—O3—O1^xxxiii	96.89 (2)
P1^xxi—S1—P1^xxii	125.582 (16)	S1^lxix—O3—O1^xxxiv	126.07 (3)
P1^xxi—S1—P1^v	102.068 (16)	S1^lxix—O3—O1^xxxv	21.881 (14)
P1^xxi—S1—P1^vi	102.068 (16)	S1^lxix—O3—O1^xxxvi	21.910 (14)
P1^xxi—S1—O1^xxiii	89.07 (4)	S1^lxix—O3—O1^xxxvii	21.576 (13)
P1^xxi—S1—O1^xxiv	59.37 (3)	S1^lxix—O3—O1^xxxviii	129.75 (2)
P1^xxi—S1—O1^ix	65.04 (4)	S1^lxix—O3—O1^xxxix	99.28 (2)
P1^xxi—S1—O1^x	161.35 (3)	S1^lxix—O3—O2^xl	76.94 (3)
P1^xxi—S1—O2^xxv	21.741 (16)	S1^lxix—O3—O2^xli	59.77 (2)
P1^xxi—S1—O2^xxvi	144.290 (16)	S1^lxix—O3—O2^xlii	115.09 (3)
P1^xxi—S1—O2^xxvii	22.301 (17)	S1^lxix—O3—O2^lxxvi	104.58 (2)
P1^xxi—S1—O2^xxviii	124.666 (18)	S1^lxix—O3—O2^lxxvii	78.296 (18)
P1^xxi—S1—O2^xxix	101.606 (16)	S1^lxix—O3—O2^lxxviii	107.37 (2)
P1^xxi—S1—O2^xxx	85.164 (16)	S1^lxix—O3—H1^xxxi	127.56 (4)
P1^xxi—S1—O2^xvii	80.930 (17)	S1^lxix—O3—H1^xxxiii	86.47 (4)
P1^xxi—S1—O2^xviii	120.934 (17)	S1^lxix—O3—H1^xxxv	39.87 (3)
P1^xxi—S1—O3^xxi	21.182 (16)	S1^lxix—O3—H1^xxxvii	35.89 (2)
P1^xxi—S1—O3^xxii	107.920 (16)	S1^lxix—O3—H1^xxxviii	150.89 (3)
P1^xxi—S1—O3^v	120.366 (16)	S1^lxix—O3—H1^xxxix	82.74 (3)
P1^xxi—S1—O3^vi	96.848 (16)	S1^lxx—O3—S1^lxxi	118.53 (2)
P1^xxi—S1—H1^xxiii	117.64 (4)	S1^lxx—O3—P1	82.98 (4)
P1^xxi—S1—H1^xxiv	29.08 (4)	S1^lxx—O3—O1^xxxi	21.881 (14)
P1^xxi—S1—H1^ix	77.02 (4)	S1^lxx—O3—O1^xxxii	21.910 (14)
P1^xxi—S1—H1^x	129.39 (4)	S1^lxx—O3—O1^xxxiii	135.82 (3)
P1^xxii—S1—P1^v	102.068 (16)	S1^lxx—O3—O1^xxxiv	115.40 (2)
P1^xxii—S1—P1^vi	102.068 (16)	S1^lxx—O3—O1^xxxv	96.89 (2)
P1^xxii—S1—O1^xxiii	59.37 (3)	S1^lxx—O3—O1^xxxvi	126.07 (3)
P1^xxii—S1—O1^xxiv	89.07 (4)	S1^lxx—O3—O1^xxxvii	129.75 (2)
P1^xxii—S1—O1^ix	161.35 (3)	S1^lxx—O3—O1^xxxviii	99.28 (2)
P1^xxii—S1—O1^x	65.04 (4)	S1^lxx—O3—O1^xxxix	21.576 (13)
P1^xxii—S1—O2^xxv	144.290 (16)	S1^lxx—O3—O2^xl	115.09 (3)
P1^xxii—S1—O2^xxvi	21.741 (16)	S1^lxx—O3—O2^xli	76.94 (3)
P1^xxii—S1—O2^xxvii	124.666 (18)	S1^lxx—O3—O2^xlii	59.77 (2)
P1^xxii—S1—O2^xxviii	22.301 (17)	S1^lxx—O3—O2^lxxvi	78.296 (18)
P1^xxii—S1—O2^xxix	85.164 (16)	S1^lxx—O3—O2^lxxvii	107.37 (2)
P1^xxii—S1—O2^xxx	101.606 (16)	S1^lxx—O3—O2^lxxviii	104.58 (2)
P1^xxii—S1—O2^xvii	120.934 (17)	S1^lxx—O3—H1^xxxi	39.87 (3)
P1^xxii—S1—O2^xviii	80.930 (17)	S1^lxx—O3—H1^xxxiii	127.56 (4)
P1^xxii—S1—O3^xxi	107.920 (16)	S1^lxx—O3—H1^xxxv	86.47 (4)
P1^xxii—S1—O3^xxii	21.182 (16)	S1^lxx—O3—H1^xxxvii	150.89 (3)
P1^xxii—S1—O3^v	96.848 (16)	S1^lxx—O3—H1^xxxviii	82.74 (3)
P1^xxii—S1—O3^vi	120.366 (16)	S1^lxx—O3—H1^xxxix	35.89 (2)
P1^xxii—S1—H1^xxiii	29.08 (4)	S1^lxxi—O3—P1	82.98 (4)
P1^xxii—S1—H1^xxiv	117.64 (4)	S1^lxxi—O3—O1^xxxi	96.89 (2)
P1^xxii—S1—H1^ix	129.39 (4)	S1^lxxi—O3—O1^xxxii	126.07 (3)
P1^xxii—S1—H1^x	77.02 (4)	S1^lxxi—O3—O1^xxxiii	21.881 (14)
P1^v—S1—P1^vi	125.582 (16)	S1^lxxi—O3—O1^xxxiv	21.910 (14)
P1^v—S1—O1^xxiii	65.04 (4)	S1^lxxi—O3—O1^xxxv	135.82 (3)
P1^v—S1—O1^xxiv	161.35 (3)	S1^lxxi—O3—O1^xxxvi	115.40 (2)
P1^v—S1—O1^ix	59.37 (3)	S1^lxxi—O3—O1^xxxvii	99.28 (2)
P1^v—S1—O1^x	89.07 (4)	S1^lxxi—O3—O1^xxxviii	21.576 (13)
P1^v—S1—O2^xxv	85.164 (16)	S1^lxxi—O3—O1^xxxix	129.75 (2)
P1^v—S1—O2^xxvi	101.606 (16)	S1^lxxi—O3—O2^xl	59.77 (2)
P1^v—S1—O2^xxvii	120.934 (17)	S1^lxxi—O3—O2^xli	115.09 (3)
P1^v—S1—O2^xxviii	80.930 (17)	S1^lxxi—O3—O2^xlii	76.94 (3)
P1^v—S1—O2^xxix	21.741 (16)	S1^lxxi—O3—O2^lxxvi	107.37 (2)
P1^v—S1—O2^xxx	144.290 (16)	S1^lxxi—O3—O2^lxxvii	104.58 (2)
P1^v—S1—O2^xvii	22.301 (17)	S1^lxxi—O3—O2^lxxviii	78.296 (18)
P1^v—S1—O2^xviii	124.666 (18)	S1^lxxi—O3—H1^xxxi	86.47 (4)
P1^v—S1—O3^xxi	96.848 (16)	S1^lxxi—O3—H1^xxxiii	39.87 (3)
P1^v—S1—O3^xxii	120.366 (16)	S1^lxxi—O3—H1^xxxv	127.56 (4)
P1^v—S1—O3^v	21.182 (16)	S1^lxxi—O3—H1^xxxvii	82.74 (3)
P1^v—S1—O3^vi	107.920 (16)	S1^lxxi—O3—H1^xxxviii	35.89 (2)
P1^v—S1—H1^xxiii	77.02 (4)	S1^lxxi—O3—H1^xxxix	150.89 (3)
P1^v—S1—H1^xxiv	129.39 (4)	P1—O3—O1^xxxi	75.67 (5)
P1^v—S1—H1^ix	29.08 (4)	P1—O3—O1^xxxii	104.19 (5)
P1^v—S1—H1^x	117.64 (4)	P1—O3—O1^xxxiii	75.67 (5)
P1^vi—S1—O1^xxiii	161.35 (3)	P1—O3—O1^xxxiv	104.19 (5)
P1^vi—S1—O1^xxiv	65.04 (4)	P1—O3—O1^xxxv	75.67 (5)
P1^vi—S1—O1^ix	89.07 (4)	P1—O3—O1^xxxvi	104.19 (5)
P1^vi—S1—O1^x	59.37 (3)	P1—O3—O1^xxxvii	69.36 (4)
P1^vi—S1—O2^xxv	101.606 (16)	P1—O3—O1^xxxviii	69.36 (4)
P1^vi—S1—O2^xxvi	85.164 (16)	P1—O3—O1^xxxix	69.36 (4)
P1^vi—S1—O2^xxvii	80.930 (17)	P1—O3—O2^xl	33.63 (4)
P1^vi—S1—O2^xxviii	120.934 (17)	P1—O3—O2^xli	33.63 (4)
P1^vi—S1—O2^xxix	144.290 (16)	P1—O3—O2^xlii	33.63 (4)
P1^vi—S1—O2^xxx	21.741 (16)	P1—O3—O2^lxxvi	161.21 (5)
P1^vi—S1—O2^xvii	124.666 (18)	P1—O3—O2^lxxvii	161.21 (5)
P1^vi—S1—O2^xviii	22.301 (17)	P1—O3—O2^lxxviii	161.21 (5)
P1^vi—S1—O3^xxi	120.366 (16)	P1—O3—H1^xxxi	53.24 (5)
P1^vi—S1—O3^xxii	96.848 (16)	P1—O3—H1^xxxiii	53.24 (5)
P1^vi—S1—O3^v	107.920 (16)	P1—O3—H1^xxxv	53.24 (5)
P1^vi—S1—O3^vi	21.182 (16)	P1—O3—H1^xxxvii	80.15 (5)
P1^vi—S1—H1^xxiii	129.39 (4)	P1—O3—H1^xxxviii	80.15 (5)
P1^vi—S1—H1^xxiv	77.02 (4)	P1—O3—H1^xxxix	80.15 (5)
P1^vi—S1—H1^ix	117.64 (4)	O1^xxxi—O3—O1^xxxii	38.756 (19)
P1^vi—S1—H1^x	29.08 (4)	O1^xxxi—O3—O1^xxxiii	114.09 (3)
O1^xxiii—S1—O1^xxiv	109.84 (5)	O1^xxxi—O3—O1^xxxiv	96.77 (3)
O1^xxiii—S1—O1^ix	109.29 (5)	O1^xxxi—O3—O1^xxxv	114.09 (3)
O1^xxiii—S1—O1^x	109.29 (5)	O1^xxxi—O3—O1^xxxvi	147.57 (3)
O1^xxiii—S1—O2^xxv	94.27 (3)	O1^xxxi—O3—O1^xxxvii	139.04 (3)
O1^xxiii—S1—O2^xxvi	77.21 (3)	O1^xxxi—O3—O1^xxxviii	77.40 (2)
O1^xxiii—S1—O2^xxvii	107.44 (4)	O1^xxxi—O3—O1^xxxix	36.98 (2)
O1^xxiii—S1—O2^xxviii	41.61 (3)	O1^xxxi—O3—O2^xl	102.54 (3)
O1^xxiii—S1—O2^xxix	43.57 (4)	O1^xxxi—O3—O2^xli	82.42 (3)
O1^xxiii—S1—O2^xxx	150.63 (4)	O1^xxxi—O3—O2^xlii	45.30 (3)
O1^xxiii—S1—O2^xvii	71.46 (4)	O1^xxxi—O3—O2^lxxvi	87.33 (2)
O1^xxiii—S1—O2^xviii	139.99 (3)	O1^xxxi—O3—O2^lxxvii	119.52 (3)
O1^xxiii—S1—O3^xxi	68.50 (4)	O1^xxxi—O3—O2^lxxviii	104.89 (3)
O1^xxiii—S1—O3^xxii	65.24 (3)	O1^xxxi—O3—H1^xxxi	23.58 (4)
O1^xxiii—S1—O3^v	78.21 (4)	O1^xxxi—O3—H1^xxxiii	109.36 (4)
O1^xxiii—S1—O3^vi	171.76 (4)	O1^xxxi—O3—H1^xxxv	98.09 (4)
O1^xxiii—S1—H1^xxiii	33.06 (5)	O1^xxxi—O3—H1^xxxvii	155.66 (3)
O1^xxiii—S1—H1^xxiv	108.83 (5)	O1^xxxi—O3—H1^xxxviii	61.40 (3)
O1^xxiii—S1—H1^ix	79.20 (5)	O1^xxxi—O3—H1^xxxix	55.98 (3)
O1^xxiii—S1—H1^x	134.65 (5)	O1^xxxii—O3—O1^xxxiii	147.57 (3)
O1^xxiv—S1—O1^ix	109.29 (5)	O1^xxxii—O3—O1^xxxiv	114.19 (3)
O1^xxiv—S1—O1^x	109.29 (5)	O1^xxxii—O3—O1^xxxv	96.77 (3)
O1^xxiv—S1—O2^xxv	77.21 (3)	O1^xxxii—O3—O1^xxxvi	114.19 (3)
O1^xxiv—S1—O2^xxvi	94.27 (3)	O1^xxxii—O3—O1^xxxvii	133.71 (3)
O1^xxiv—S1—O2^xxvii	41.61 (3)	O1^xxxii—O3—O1^xxxviii	111.72 (3)
O1^xxiv—S1—O2^xxviii	107.44 (4)	O1^xxxii—O3—O1^xxxix	36.71 (2)
O1^xxiv—S1—O2^xxix	150.63 (4)	O1^xxxii—O3—O2^xl	136.92 (4)
O1^xxiv—S1—O2^xxx	43.57 (4)	O1^xxxii—O3—O2^xli	91.90 (3)
O1^xxiv—S1—O2^xvii	139.99 (3)	O1^xxxii—O3—O2^xlii	81.31 (3)
O1^xxiv—S1—O2^xviii	71.46 (4)	O1^xxxii—O3—O2^lxxvi	57.01 (2)
O1^xxiv—S1—O3^xxi	65.24 (3)	O1^xxxii—O3—O2^lxxvii	85.46 (2)
O1^xxiv—S1—O3^xxii	68.50 (4)	O1^xxxii—O3—O2^lxxviii	85.82 (2)
O1^xxiv—S1—O3^v	171.76 (4)	O1^xxxii—O3—H1^xxxi	60.52 (4)
O1^xxiv—S1—O3^vi	78.21 (4)	O1^xxxii—O3—H1^xxxiii	148.08 (4)
O1^xxiv—S1—H1^xxiii	108.83 (5)	O1^xxxii—O3—H1^xxxv	94.79 (4)
O1^xxiv—S1—H1^xxiv	33.06 (5)	O1^xxxii—O3—H1^xxxvii	151.02 (3)
O1^xxiv—S1—H1^ix	134.65 (5)	O1^xxxii—O3—H1^xxxviii	91.75 (3)
O1^xxiv—S1—H1^x	79.20 (5)	O1^xxxii—O3—H1^xxxix	38.78 (3)
O1^ix—S1—O1^x	109.84 (5)	O1^xxxiii—O3—O1^xxxiv	38.756 (19)
O1^ix—S1—O2^xxv	43.57 (4)	O1^xxxiii—O3—O1^xxxv	114.09 (3)
O1^ix—S1—O2^xxvi	150.63 (4)	O1^xxxiii—O3—O1^xxxvi	96.77 (3)
O1^ix—S1—O2^xxvii	71.46 (4)	O1^xxxiii—O3—O1^xxxvii	77.40 (2)
O1^ix—S1—O2^xxviii	139.99 (3)	O1^xxxiii—O3—O1^xxxviii	36.98 (2)
O1^ix—S1—O2^xxix	77.21 (3)	O1^xxxiii—O3—O1^xxxix	139.04 (3)
O1^ix—S1—O2^xxx	94.27 (3)	O1^xxxiii—O3—O2^xl	45.30 (3)
O1^ix—S1—O2^xvii	41.61 (3)	O1^xxxiii—O3—O2^xli	102.54 (3)
O1^ix—S1—O2^xviii	107.44 (4)	O1^xxxiii—O3—O2^xlii	82.42 (3)
O1^ix—S1—O3^xxi	78.21 (4)	O1^xxxiii—O3—O2^lxxvi	119.52 (3)
O1^ix—S1—O3^xxii	171.76 (4)	O1^xxxiii—O3—O2^lxxvii	104.89 (3)
O1^ix—S1—O3^v	65.24 (3)	O1^xxxiii—O3—O2^lxxviii	87.33 (2)
O1^ix—S1—O3^vi	68.50 (4)	O1^xxxiii—O3—H1^xxxi	98.09 (4)
O1^ix—S1—H1^xxiii	134.65 (5)	O1^xxxiii—O3—H1^xxxiii	23.58 (4)
O1^ix—S1—H1^xxiv	79.20 (5)	O1^xxxiii—O3—H1^xxxv	109.36 (4)
O1^ix—S1—H1^ix	33.06 (5)	O1^xxxiii—O3—H1^xxxvii	61.40 (3)
O1^ix—S1—H1^x	108.83 (5)	O1^xxxiii—O3—H1^xxxviii	55.98 (3)
O1^x—S1—O2^xxv	150.63 (4)	O1^xxxiii—O3—H1^xxxix	155.66 (3)
O1^x—S1—O2^xxvi	43.57 (4)	O1^xxxiv—O3—O1^xxxv	147.57 (3)
O1^x—S1—O2^xxvii	139.99 (3)	O1^xxxiv—O3—O1^xxxvi	114.19 (3)
O1^x—S1—O2^xxviii	71.46 (4)	O1^xxxiv—O3—O1^xxxvii	111.72 (3)
O1^x—S1—O2^xxix	94.27 (3)	O1^xxxiv—O3—O1^xxxviii	36.71 (2)
O1^x—S1—O2^xxx	77.21 (3)	O1^xxxiv—O3—O1^xxxix	133.71 (3)
O1^x—S1—O2^xvii	107.44 (4)	O1^xxxiv—O3—O2^xl	81.31 (3)
O1^x—S1—O2^xviii	41.61 (3)	O1^xxxiv—O3—O2^xli	136.92 (4)
O1^x—S1—O3^xxi	171.76 (4)	O1^xxxiv—O3—O2^xlii	91.90 (3)
O1^x—S1—O3^xxii	78.21 (4)	O1^xxxiv—O3—O2^lxxvi	85.46 (2)
O1^x—S1—O3^v	68.50 (4)	O1^xxxiv—O3—O2^lxxvii	85.82 (2)
O1^x—S1—O3^vi	65.24 (3)	O1^xxxiv—O3—O2^lxxviii	57.01 (2)
O1^x—S1—H1^xxiii	79.20 (5)	O1^xxxiv—O3—H1^xxxi	94.79 (4)
O1^x—S1—H1^xxiv	134.65 (5)	O1^xxxiv—O3—H1^xxxiii	60.52 (4)
O1^x—S1—H1^ix	108.83 (5)	O1^xxxiv—O3—H1^xxxv	148.08 (4)
O1^x—S1—H1^x	33.06 (5)	O1^xxxiv—O3—H1^xxxvii	91.75 (3)
O2^xxv—S1—O2^xxvi	165.313 (15)	O1^xxxiv—O3—H1^xxxviii	38.78 (3)
O2^xxv—S1—O2^xxvii	35.779 (18)	O1^xxxiv—O3—H1^xxxix	151.02 (3)
O2^xxv—S1—O2^xxviii	135.369 (18)	O1^xxxv—O3—O1^xxxvi	38.756 (19)
O2^xxv—S1—O2^xxix	90.936 (17)	O1^xxxv—O3—O1^xxxvii	36.98 (2)
O2^xxv—S1—O2^xxx	90.936 (17)	O1^xxxv—O3—O1^xxxviii	139.04 (3)
O2^xxv—S1—O2^xvii	62.962 (17)	O1^xxxv—O3—O1^xxxix	77.40 (2)
O2^xxv—S1—O2^xviii	123.657 (17)	O1^xxxv—O3—O2^xl	82.42 (3)
O2^xxv—S1—O3^xxi	36.433 (16)	O1^xxxv—O3—O2^xli	45.30 (3)
O2^xxv—S1—O3^xxii	129.044 (16)	O1^xxxv—O3—O2^xlii	102.54 (3)
O2^xxv—S1—O3^v	100.835 (16)	O1^xxxv—O3—O2^lxxvi	104.89 (3)
O2^xxv—S1—O3^vi	89.236 (16)	O1^xxxv—O3—O2^lxxvii	87.33 (2)
O2^xxv—S1—H1^xxiii	126.96 (4)	O1^xxxv—O3—O2^lxxviii	119.52 (3)
O2^xxv—S1—H1^xxiv	44.28 (4)	O1^xxxv—O3—H1^xxxi	109.36 (4)
O2^xxv—S1—H1^ix	57.58 (4)	O1^xxxv—O3—H1^xxxiii	98.09 (4)
O2^xxv—S1—H1^x	130.60 (4)	O1^xxxv—O3—H1^xxxv	23.58 (4)
O2^xxvi—S1—O2^xxvii	135.369 (18)	O1^xxxv—O3—H1^xxxvii	55.98 (3)
O2^xxvi—S1—O2^xxviii	35.779 (18)	O1^xxxv—O3—H1^xxxviii	155.66 (3)
O2^xxvi—S1—O2^xxix	90.936 (17)	O1^xxxv—O3—H1^xxxix	61.40 (3)
O2^xxvi—S1—O2^xxx	90.936 (17)	O1^xxxvi—O3—O1^xxxvii	36.71 (2)
O2^xxvi—S1—O2^xvii	123.657 (17)	O1^xxxvi—O3—O1^xxxviii	133.71 (3)
O2^xxvi—S1—O2^xviii	62.962 (17)	O1^xxxvi—O3—O1^xxxix	111.72 (3)
O2^xxvi—S1—O3^xxi	129.044 (16)	O1^xxxvi—O3—O2^xl	91.90 (3)
O2^xxvi—S1—O3^xxii	36.433 (16)	O1^xxxvi—O3—O2^xli	81.31 (3)
O2^xxvi—S1—O3^v	89.236 (16)	O1^xxxvi—O3—O2^xlii	136.92 (4)
O2^xxvi—S1—O3^vi	100.835 (16)	O1^xxxvi—O3—O2^lxxvi	85.82 (2)
O2^xxvi—S1—H1^xxiii	44.28 (4)	O1^xxxvi—O3—O2^lxxvii	57.01 (2)
O2^xxvi—S1—H1^xxiv	126.96 (4)	O1^xxxvi—O3—O2^lxxviii	85.46 (2)
O2^xxvi—S1—H1^ix	130.60 (4)	O1^xxxvi—O3—H1^xxxi	148.08 (4)
O2^xxvi—S1—H1^x	57.58 (4)	O1^xxxvi—O3—H1^xxxiii	94.79 (4)
O2^xxvii—S1—O2^xxviii	134.123 (19)	O1^xxxvi—O3—H1^xxxv	60.52 (4)
O2^xxvii—S1—O2^xxix	123.657 (17)	O1^xxxvi—O3—H1^xxxvii	38.78 (3)
O2^xxvii—S1—O2^xxx	62.962 (17)	O1^xxxvi—O3—H1^xxxviii	151.02 (3)
O2^xxvii—S1—O2^xvii	98.737 (19)	O1^xxxvi—O3—H1^xxxix	91.75 (3)
O2^xxvii—S1—O2^xviii	98.737 (19)	O1^xxxvii—O3—O1^xxxviii	108.28 (3)
O2^xxvii—S1—O3^xxi	39.658 (18)	O1^xxxvii—O3—O1^xxxix	108.28 (3)
O2^xxvii—S1—O3^xxii	103.729 (18)	O1^xxxvii—O3—O2^xl	56.27 (3)
O2^xxvii—S1—O3^v	135.395 (18)	O1^xxxvii—O3—O2^xli	56.64 (3)
O2^xxvii—S1—O3^vi	79.663 (18)	O1^xxxvii—O3—O2^xlii	102.99 (3)
O2^xxvii—S1—H1^xxiii	129.75 (4)	O1^xxxvii—O3—O2^lxxvi	122.49 (3)
O2^xxvii—S1—H1^xxiv	8.55 (4)	O1^xxxvii—O3—O2^lxxvii	92.25 (2)
O2^xxvii—S1—H1^ix	93.04 (4)	O1^xxxvii—O3—O2^lxxviii	115.13 (2)
O2^xxvii—S1—H1^x	107.24 (4)	O1^xxxvii—O3—H1^xxxi	121.20 (4)
O2^xxviii—S1—O2^xxix	62.962 (17)	O1^xxxvii—O3—H1^xxxiii	64.96 (4)
O2^xxviii—S1—O2^xxx	123.657 (17)	O1^xxxvii—O3—H1^xxxv	43.33 (4)
O2^xxviii—S1—O2^xvii	98.737 (19)	O1^xxxvii—O3—H1^xxxvii	21.15 (2)
O2^xxviii—S1—O2^xviii	98.737 (19)	O1^xxxvii—O3—H1^xxxviii	129.38 (3)
O2^xxviii—S1—O3^xxi	103.729 (18)	O1^xxxvii—O3—H1^xxxix	96.74 (3)
O2^xxviii—S1—O3^xxii	39.658 (18)	O1^xxxviii—O3—O1^xxxix	108.28 (3)
O2^xxviii—S1—O3^v	79.663 (18)	O1^xxxviii—O3—O2^xl	56.64 (3)
O2^xxviii—S1—O3^vi	135.395 (18)	O1^xxxviii—O3—O2^xli	102.99 (3)
O2^xxviii—S1—H1^xxiii	8.55 (4)	O1^xxxviii—O3—O2^xlii	56.27 (3)
O2^xxviii—S1—H1^xxiv	129.75 (4)	O1^xxxviii—O3—O2^lxxvi	115.13 (2)
O2^xxviii—S1—H1^ix	107.24 (4)	O1^xxxviii—O3—O2^lxxvii	122.49 (3)
O2^xxviii—S1—H1^x	93.04 (4)	O1^xxxviii—O3—O2^lxxviii	92.25 (2)
O2^xxix—S1—O2^xxx	165.313 (15)	O1^xxxviii—O3—H1^xxxi	64.96 (4)
O2^xxix—S1—O2^xvii	35.779 (18)	O1^xxxviii—O3—H1^xxxiii	43.33 (4)
O2^xxix—S1—O2^xviii	135.369 (18)	O1^xxxviii—O3—H1^xxxv	121.20 (4)
O2^xxix—S1—O3^xxi	89.236 (16)	O1^xxxviii—O3—H1^xxxvii	96.74 (3)
O2^xxix—S1—O3^xxii	100.835 (16)	O1^xxxviii—O3—H1^xxxviii	21.15 (2)
O2^xxix—S1—O3^v	36.433 (16)	O1^xxxviii—O3—H1^xxxix	129.38 (3)
O2^xxix—S1—O3^vi	129.044 (16)	O1^xxxix—O3—O2^xl	102.99 (3)
O2^xxix—S1—H1^xxiii	57.58 (4)	O1^xxxix—O3—O2^xli	56.27 (3)
O2^xxix—S1—H1^xxiv	130.60 (4)	O1^xxxix—O3—O2^xlii	56.64 (3)
O2^xxix—S1—H1^ix	44.28 (4)	O1^xxxix—O3—O2^lxxvi	92.25 (2)
O2^xxix—S1—H1^x	126.96 (4)	O1^xxxix—O3—O2^lxxvii	115.13 (2)
O2^xxx—S1—O2^xvii	135.369 (18)	O1^xxxix—O3—O2^lxxviii	122.49 (3)
O2^xxx—S1—O2^xviii	35.779 (18)	O1^xxxix—O3—H1^xxxi	43.33 (4)
O2^xxx—S1—O3^xxi	100.835 (16)	O1^xxxix—O3—H1^xxxiii	121.20 (4)
O2^xxx—S1—O3^xxii	89.236 (16)	O1^xxxix—O3—H1^xxxv	64.96 (4)
O2^xxx—S1—O3^v	129.044 (16)	O1^xxxix—O3—H1^xxxvii	129.38 (3)
O2^xxx—S1—O3^vi	36.433 (16)	O1^xxxix—O3—H1^xxxviii	96.74 (3)
O2^xxx—S1—H1^xxiii	130.60 (4)	O1^xxxix—O3—H1^xxxix	21.15 (2)
O2^xxx—S1—H1^xxiv	57.58 (4)	O2^xl—O3—O2^xli	57.32 (3)
O2^xxx—S1—H1^ix	126.96 (4)	O2^xl—O3—O2^xlii	57.32 (3)
O2^xxx—S1—H1^x	44.28 (4)	O2^xl—O3—O2^lxxvi	164.30 (4)
O2^xvii—S1—O2^xviii	134.123 (19)	O2^xl—O3—O2^lxxvii	137.17 (3)
O2^xvii—S1—O3^xxi	79.663 (18)	O2^xl—O3—O2^lxxviii	131.96 (3)
O2^xvii—S1—O3^xxii	135.395 (18)	O2^xl—O3—H1^xxxi	79.01 (4)
O2^xvii—S1—O3^v	39.658 (18)	O2^xl—O3—H1^xxxiii	21.72 (4)
O2^xvii—S1—O3^vi	103.729 (18)	O2^xl—O3—H1^xxxv	67.96 (4)
O2^xvii—S1—H1^xxiii	93.04 (4)	O2^xl—O3—H1^xxxvii	56.23 (3)
O2^xvii—S1—H1^xxiv	107.24 (4)	O2^xl—O3—H1^xxxviii	75.86 (3)
O2^xvii—S1—H1^ix	8.55 (4)	O2^xl—O3—H1^xxxix	111.89 (4)
O2^xvii—S1—H1^x	129.75 (4)	O2^xli—O3—O2^xlii	57.32 (3)
O2^xviii—S1—O3^xxi	135.395 (18)	O2^xli—O3—O2^lxxvi	137.17 (3)
O2^xviii—S1—O3^xxii	79.663 (18)	O2^xli—O3—O2^lxxvii	131.96 (3)
O2^xviii—S1—O3^v	103.729 (18)	O2^xli—O3—O2^lxxviii	164.30 (4)
O2^xviii—S1—O3^vi	39.658 (18)	O2^xli—O3—H1^xxxi	67.96 (4)
O2^xviii—S1—H1^xxiii	107.24 (4)	O2^xli—O3—H1^xxxiii	79.01 (4)
O2^xviii—S1—H1^xxiv	93.04 (4)	O2^xli—O3—H1^xxxv	21.72 (4)
O2^xviii—S1—H1^ix	129.75 (4)	O2^xli—O3—H1^xxxvii	75.86 (3)
O2^xviii—S1—H1^x	8.55 (4)	O2^xli—O3—H1^xxxviii	111.89 (4)
O3^xxi—S1—O3^xxii	93.815 (17)	O2^xli—O3—H1^xxxix	56.23 (3)
O3^xxi—S1—O3^v	117.822 (17)	O2^xlii—O3—O2^lxxvi	131.96 (3)
O3^xxi—S1—O3^vi	117.822 (17)	O2^xlii—O3—O2^lxxvii	164.30 (4)
O3^xxi—S1—H1^xxiii	96.50 (4)	O2^xlii—O3—O2^lxxviii	137.17 (3)
O3^xxi—S1—H1^xxiv	43.46 (4)	O2^xlii—O3—H1^xxxi	21.72 (4)
O3^xxi—S1—H1^ix	78.83 (4)	O2^xlii—O3—H1^xxxiii	67.96 (4)
O3^xxi—S1—H1^x	143.75 (4)	O2^xlii—O3—H1^xxxv	79.01 (4)
O3^xxii—S1—O3^v	117.822 (17)	O2^xlii—O3—H1^xxxvii	111.89 (4)
O3^xxii—S1—O3^vi	117.822 (17)	O2^xlii—O3—H1^xxxviii	56.23 (3)
O3^xxii—S1—H1^xxiii	43.46 (4)	O2^xlii—O3—H1^xxxix	75.86 (3)
O3^xxii—S1—H1^xxiv	96.50 (4)	O2^lxxvi—O3—O2^lxxvii	32.402 (16)
O3^xxii—S1—H1^ix	143.75 (4)	O2^lxxvi—O3—O2^lxxviii	32.402 (16)
O3^xxii—S1—H1^x	78.83 (4)	O2^lxxvi—O3—H1^xxxi	110.64 (4)
O3^v—S1—O3^vi	93.815 (17)	O2^lxxvi—O3—H1^xxxiii	142.99 (4)
O3^v—S1—H1^xxiii	78.83 (4)	O2^lxxvi—O3—H1^xxxv	123.26 (4)
O3^v—S1—H1^xxiv	143.75 (4)	O2^lxxvi—O3—H1^xxxvii	116.13 (3)
O3^v—S1—H1^ix	43.46 (4)	O2^lxxvi—O3—H1^xxxviii	98.89 (3)
O3^v—S1—H1^x	96.50 (4)	O2^lxxvi—O3—H1^xxxix	83.73 (3)
O3^vi—S1—H1^xxiii	143.75 (4)	O2^lxxvii—O3—O2^lxxviii	32.402 (16)
O3^vi—S1—H1^xxiv	78.83 (4)	O2^lxxvii—O3—H1^xxxi	142.99 (4)
O3^vi—S1—H1^ix	96.50 (4)	O2^lxxvii—O3—H1^xxxiii	123.26 (4)
O3^vi—S1—H1^x	43.46 (4)	O2^lxxvii—O3—H1^xxxv	110.64 (4)
H1^xxiii—S1—H1^xxiv	126.72 (5)	O2^lxxvii—O3—H1^xxxvii	83.73 (3)
H1^xxiii—S1—H1^ix	101.60 (5)	O2^lxxvii—O3—H1^xxxviii	116.13 (3)
H1^xxiii—S1—H1^x	101.60 (5)	O2^lxxvii—O3—H1^xxxix	98.89 (3)
H1^xxiv—S1—H1^ix	101.60 (5)	O2^lxxviii—O3—H1^xxxi	123.26 (4)
H1^xxiv—S1—H1^x	101.60 (5)	O2^lxxviii—O3—H1^xxxiii	110.64 (4)
H1^ix—S1—H1^x	126.72 (5)	O2^lxxviii—O3—H1^xxxv	142.99 (4)
S1^lxix—P1—S1^lxx	114.220 (19)	O2^lxxviii—O3—H1^xxxvii	98.89 (3)
S1^lxix—P1—S1^lxxi	114.220 (19)	O2^lxxviii—O3—H1^xxxviii	83.73 (3)
S1^lxix—P1—O1^xxxi	134.66 (3)	O2^lxxviii—O3—H1^xxxix	116.13 (3)
S1^lxix—P1—O1^xxxii	101.48 (2)	H1^xxxi—O3—H1^xxxiii	87.87 (5)
S1^lxix—P1—O1^xxxiii	96.26 (2)	H1^xxxi—O3—H1^xxxv	87.87 (5)
S1^lxix—P1—O1^xxxiv	109.46 (2)	H1^xxxi—O3—H1^xxxvii	133.13 (5)
S1^lxix—P1—O1^xxxv	21.069 (14)	H1^xxxi—O3—H1^xxxviii	56.01 (4)
S1^lxix—P1—O1^xxxvi	20.136 (13)	H1^xxxi—O3—H1^xxxix	64.43 (4)
S1^lxix—P1—O1^xxxvii	21.335 (14)	H1^xxxiii—O3—H1^xxxv	87.87 (5)
S1^lxix—P1—O1^xxxviii	134.94 (3)	H1^xxxiii—O3—H1^xxxvii	56.01 (4)
S1^lxix—P1—O1^xxxix	101.97 (2)	H1^xxxiii—O3—H1^xxxviii	64.43 (4)
S1^lxix—P1—O2^xl	84.49 (4)	H1^xxxiii—O3—H1^xxxix	133.13 (5)
S1^lxix—P1—O2^xli	57.32 (4)	H1^xxxv—O3—H1^xxxvii	64.43 (4)
S1^lxix—P1—O2^xlii	160.81 (5)	H1^xxxv—O3—H1^xxxviii	133.13 (5)
S1^lxix—P1—O3	75.84 (4)	H1^xxxv—O3—H1^xxxix	56.01 (4)
S1^lxix—P1—H1^xxxi	148.06 (5)	H1^xxxvii—O3—H1^xxxviii	117.14 (3)
S1^lxix—P1—H1^xxxiii	91.86 (5)	H1^xxxvii—O3—H1^xxxix	117.14 (3)
S1^lxix—P1—H1^xxxv	34.32 (4)	H1^xxxviii—O3—H1^xxxix	117.14 (3)
S1^lxix—P1—H1^xxxvii	35.59 (2)	S1^lxxii—H1—P1^li	116.60 (7)
S1^lxix—P1—H1^xxxviii	146.20 (3)	S1^lxxii—H1—P1^lii	67.38 (3)
S1^lxix—P1—H1^xxxix	81.64 (3)	S1^lxxii—H1—O1	31.47 (5)
S1^lxx—P1—S1^lxxi	114.220 (19)	S1^lxxii—H1—O1^xliii	24.76 (2)
S1^lxx—P1—O1^xxxi	21.069 (14)	S1^lxxii—H1—O1^liii	146.04 (6)
S1^lxx—P1—O1^xxxii	20.136 (13)	S1^lxxii—H1—O1^liv	115.75 (5)
S1^lxx—P1—O1^xxxiii	134.66 (3)	S1^lxxii—H1—O1^xliv	32.50 (3)
S1^lxx—P1—O1^xxxiv	101.48 (2)	S1^lxxii—H1—O1^xlv	16.303 (19)
S1^lxx—P1—O1^xxxv	96.26 (2)	S1^lxxii—H1—O2^lxxix	138.40 (6)
S1^lxx—P1—O1^xxxvi	109.46 (2)	S1^lxxii—H1—O2^xlvi	98.77 (5)
S1^lxx—P1—O1^xxxvii	134.94 (3)	S1^lxxii—H1—O2^i	149.45 (12)
S1^lxx—P1—O1^xxxviii	101.97 (2)	S1^lxxii—H1—O2^xlviii	85.12 (4)
S1^lxx—P1—O1^xxxix	21.335 (14)	S1^lxxii—H1—O2^xlix	111.02 (5)
S1^lxx—P1—O2^xl	160.81 (5)	S1^lxxii—H1—O2^l	51.66 (3)
S1^lxx—P1—O2^xli	84.49 (4)	S1^lxxii—H1—O3^li	96.67 (5)
S1^lxx—P1—O2^xlii	57.32 (4)	S1^lxxii—H1—O3^lii	65.28 (3)
S1^lxx—P1—O3	75.84 (4)	S1^lxxii—H1—H1^lxvii	142.48 (6)
S1^lxx—P1—H1^xxxi	34.32 (4)	S1^lxxii—H1—H1^lxviii	92.50 (5)
S1^lxx—P1—H1^xxxiii	148.06 (5)	S1^lxxii—H1—H1^liii	125.07 (6)
S1^lxx—P1—H1^xxxv	91.86 (5)	S1^lxxii—H1—H1^liv	98.33 (5)
S1^lxx—P1—H1^xxxvii	146.20 (3)	S1^lxxii—H1—H1^xliv	39.20 (3)
S1^lxx—P1—H1^xxxviii	81.64 (3)	S1^lxxii—H1—H1^xlv	39.20 (3)
S1^lxx—P1—H1^xxxix	35.59 (2)	P1^li—H1—P1^lii	151.45 (6)
S1^lxxi—P1—O1^xxxi	96.26 (2)	P1^li—H1—O1	140.76 (10)
S1^lxxi—P1—O1^xxxii	109.46 (2)	P1^li—H1—O1^xliii	99.43 (6)
S1^lxxi—P1—O1^xxxiii	21.069 (14)	P1^li—H1—O1^liii	71.68 (5)
S1^lxxi—P1—O1^xxxiv	20.136 (13)	P1^li—H1—O1^liv	112.25 (6)
S1^lxxi—P1—O1^xxxv	134.66 (3)	P1^li—H1—O1^xliv	96.77 (6)
S1^lxxi—P1—O1^xxxvi	101.48 (2)	P1^li—H1—O1^xlv	132.20 (6)
S1^lxxi—P1—O1^xxxvii	101.97 (2)	P1^li—H1—O2^lxxix	21.83 (3)
S1^lxxi—P1—O1^xxxviii	21.335 (14)	P1^li—H1—O2^xlvi	30.93 (3)
S1^lxxi—P1—O1^xxxix	134.94 (3)	P1^li—H1—O2^i	39.73 (8)
S1^lxxi—P1—O2^xl	57.32 (4)	P1^li—H1—O2^xlviii	150.73 (7)
S1^lxxi—P1—O2^xli	160.81 (5)	P1^li—H1—O2^xlix	106.19 (6)
S1^lxxi—P1—O2^xlii	84.49 (4)	P1^li—H1—O2^l	162.44 (6)
S1^lxxi—P1—O3	75.84 (4)	P1^li—H1—O3^li	32.45 (3)
S1^lxxi—P1—H1^xxxi	91.86 (5)	P1^li—H1—O3^lii	132.74 (6)
S1^lxxi—P1—H1^xxxiii	34.32 (4)	P1^li—H1—H1^lxvii	30.28 (4)
S1^lxxi—P1—H1^xxxv	148.06 (5)	P1^li—H1—H1^lxviii	30.28 (4)
S1^lxxi—P1—H1^xxxvii	81.64 (3)	P1^li—H1—H1^liii	92.76 (6)
S1^lxxi—P1—H1^xxxviii	35.59 (2)	P1^li—H1—H1^liv	134.36 (7)
S1^lxxi—P1—H1^xxxix	146.20 (3)	P1^li—H1—H1^xliv	82.65 (5)
O1^xxxi—P1—O1^xxxii	34.298 (18)	P1^li—H1—H1^xlv	153.08 (7)
O1^xxxi—P1—O1^xxxiii	117.33 (3)	P1^lii—H1—O1	57.33 (6)
O1^xxxi—P1—O1^xxxiv	87.61 (3)	P1^lii—H1—O1^xliii	91.01 (4)
O1^xxxi—P1—O1^xxxv	117.33 (3)	P1^lii—H1—O1^liii	122.26 (4)
O1^xxxi—P1—O1^xxxvi	126.37 (3)	P1^lii—H1—O1^liv	50.09 (2)
O1^xxxi—P1—O1^xxxvii	155.79 (3)	P1^lii—H1—O1^xliv	71.89 (4)
O1^xxxi—P1—O1^xxxviii	81.59 (3)	P1^lii—H1—O1^xlv	51.79 (3)
O1^xxxi—P1—O1^xxxix	38.94 (2)	P1^lii—H1—O2^lxxix	143.53 (5)
O1^xxxi—P1—O2^xl	140.82 (5)	P1^lii—H1—O2^xlvi	122.95 (5)
O1^xxxi—P1—O2^xli	101.14 (5)	P1^lii—H1—O2^i	122.66 (11)
O1^xxxi—P1—O2^xlii	40.54 (4)	P1^lii—H1—O2^xlviii	20.496 (19)
O1^xxxi—P1—O3	80.49 (5)	P1^lii—H1—O2^xlix	97.40 (4)
O1^xxxi—P1—H1^xxxi	16.03 (4)	P1^lii—H1—O2^l	20.643 (17)
O1^xxxi—P1—H1^xxxiii	128.31 (5)	P1^lii—H1—O3^li	163.54 (6)
O1^xxxi—P1—H1^xxxv	112.23 (5)	P1^lii—H1—O3^lii	19.865 (17)
O1^xxxi—P1—H1^xxxvii	160.27 (3)	P1^lii—H1—H1^lxvii	149.14 (5)
O1^xxxi—P1—H1^xxxviii	61.80 (3)	P1^lii—H1—H1^lxviii	127.30 (5)
O1^xxxi—P1—H1^xxxix	56.29 (3)	P1^lii—H1—H1^liii	107.85 (5)
O1^xxxii—P1—O1^xxxiii	126.37 (3)	P1^lii—H1—H1^liv	30.96 (3)
O1^xxxii—P1—O1^xxxiv	92.24 (2)	P1^lii—H1—H1^xliv	87.59 (4)
O1^xxxii—P1—O1^xxxv	87.61 (3)	P1^lii—H1—H1^xlv	30.71 (3)
O1^xxxii—P1—O1^xxxvi	92.24 (2)	O1—H1—O1^xliii	41.81 (5)
O1^xxxii—P1—O1^xxxvii	122.75 (3)	O1—H1—O1^liii	121.52 (8)
O1^xxxii—P1—O1^xxxviii	104.28 (3)	O1—H1—O1^liv	105.53 (7)
O1^xxxii—P1—O1^xxxix	34.11 (2)	O1—H1—O1^xliv	62.34 (6)
O1^xxxii—P1—O2^xl	166.71 (5)	O1—H1—O1^xlv	23.60 (5)
O1^xxxii—P1—O2^xli	89.58 (5)	O1—H1—O2^lxxix	159.03 (9)
O1^xxxii—P1—O2^xlii	74.53 (4)	O1—H1—O2^xlvi	130.02 (8)
O1^xxxii—P1—O3	56.33 (4)	O1—H1—O2^i	179.07 (15)
O1^xxxii—P1—H1^xxxi	50.14 (4)	O1—H1—O2^xlviii	67.46 (6)
O1^xxxii—P1—H1^xxxiii	142.35 (5)	O1—H1—O2^xlix	82.30 (7)
O1^xxxii—P1—H1^xxxv	88.52 (5)	O1—H1—O2^l	36.72 (5)
O1^xxxii—P1—H1^xxxvii	128.18 (3)	O1—H1—O3^li	111.16 (8)
O1^xxxii—P1—H1^xxxviii	83.90 (3)	O1—H1—O3^lii	66.81 (6)
O1^xxxii—P1—H1^xxxix	36.75 (2)	O1—H1—H1^lxvii	149.83 (9)
O1^xxxiii—P1—O1^xxxiv	34.298 (18)	O1—H1—H1^lxviii	122.96 (8)
O1^xxxiii—P1—O1^xxxv	117.33 (3)	O1—H1—H1^liii	97.48 (8)
O1^xxxiii—P1—O1^xxxvi	87.61 (3)	O1—H1—H1^liv	83.64 (7)
O1^xxxiii—P1—O1^xxxvii	81.59 (3)	O1—H1—H1^xliv	70.67 (7)
O1^xxxiii—P1—O1^xxxviii	38.94 (2)	O1—H1—H1^xlv	28.27 (6)
O1^xxxiii—P1—O1^xxxix	155.79 (3)	O1^xliii—H1—O1^liii	126.41 (5)
O1^xxxiii—P1—O2^xl	40.54 (4)	O1^xliii—H1—O1^liv	140.38 (5)
O1^xxxiii—P1—O2^xli	140.82 (5)	O1^xliii—H1—O1^xliv	45.53 (3)
O1^xxxiii—P1—O2^xlii	101.14 (5)	O1^xliii—H1—O1^xlv	39.26 (3)
O1^xxxiii—P1—O3	80.49 (5)	O1^xliii—H1—O2^lxxix	120.27 (5)
O1^xxxiii—P1—H1^xxxi	112.23 (5)	O1^xliii—H1—O2^xlvi	92.31 (4)
O1^xxxiii—P1—H1^xxxiii	16.03 (4)	O1^xliii—H1—O2^i	138.82 (12)
O1^xxxiii—P1—H1^xxxv	128.31 (5)	O1^xliii—H1—O2^xlviii	106.71 (5)
O1^xxxiii—P1—H1^xxxvii	61.80 (3)	O1^xliii—H1—O2^xlix	101.89 (4)
O1^xxxiii—P1—H1^xxxviii	56.29 (3)	O1^xliii—H1—O2^l	73.07 (3)
O1^xxxiii—P1—H1^xxxix	160.27 (3)	O1^xliii—H1—O3^li	73.84 (4)
O1^xxxiv—P1—O1^xxxv	126.37 (3)	O1^xliii—H1—O3^lii	90.01 (4)
O1^xxxiv—P1—O1^xxxvi	92.24 (2)	O1^xliii—H1—H1^lxvii	119.75 (5)
O1^xxxiv—P1—O1^xxxvii	104.28 (3)	O1^xliii—H1—H1^lxviii	83.56 (4)
O1^xxxiv—P1—O1^xxxviii	34.11 (2)	O1^xliii—H1—H1^liii	112.17 (5)
O1^xxxiv—P1—O1^xxxix	122.75 (3)	O1^xliii—H1—H1^liv	121.51 (5)
O1^xxxiv—P1—O2^xl	74.53 (4)	O1^xliii—H1—H1^xliv	42.38 (3)
O1^xxxiv—P1—O2^xli	166.71 (5)	O1^xliii—H1—H1^xlv	61.02 (4)
O1^xxxiv—P1—O2^xlii	89.58 (5)	O1^liii—H1—O1^liv	87.13 (4)
O1^xxxiv—P1—O3	56.33 (4)	O1^liii—H1—O1^xliv	165.68 (6)
O1^xxxiv—P1—H1^xxxi	88.52 (5)	O1^liii—H1—O1^xlv	145.12 (5)
O1^xxxiv—P1—H1^xxxiii	50.14 (4)	O1^liii—H1—O2^lxxix	55.31 (3)
O1^xxxiv—P1—H1^xxxv	142.35 (5)	O1^liii—H1—O2^xlvi	100.14 (5)
O1^xxxiv—P1—H1^xxxvii	83.90 (3)	O1^liii—H1—O2^i	57.61 (9)
O1^xxxiv—P1—H1^xxxviii	36.75 (2)	O1^liii—H1—O2^xlviii	101.84 (4)
O1^xxxiv—P1—H1^xxxix	128.18 (3)	O1^liii—H1—O2^xlix	39.72 (2)
O1^xxxv—P1—O1^xxxvi	34.298 (18)	O1^liii—H1—O2^l	125.67 (4)
O1^xxxv—P1—O1^xxxvii	38.94 (2)	O1^liii—H1—O3^li	73.18 (4)
O1^xxxv—P1—O1^xxxviii	155.79 (3)	O1^liii—H1—O3^lii	135.49 (4)
O1^xxxv—P1—O1^xxxix	81.59 (3)	O1^liii—H1—H1^lxvii	42.04 (3)
O1^xxxv—P1—O2^xl	101.14 (5)	O1^liii—H1—H1^lxviii	101.86 (5)
O1^xxxv—P1—O2^xli	40.54 (4)	O1^liii—H1—H1^liii	24.34 (3)
O1^xxxv—P1—O2^xlii	140.82 (5)	O1^liii—H1—H1^liv	95.87 (5)
O1^xxxv—P1—O3	80.49 (5)	O1^liii—H1—H1^xliv	150.07 (5)
O1^xxxv—P1—H1^xxxi	128.31 (5)	O1^liii—H1—H1^xlv	134.24 (5)
O1^xxxv—P1—H1^xxxiii	112.23 (5)	O1^liv—H1—O1^xliv	105.46 (5)
O1^xxxv—P1—H1^xxxv	16.03 (4)	O1^liv—H1—O1^xlv	101.31 (4)
O1^xxxv—P1—H1^xxxvii	56.29 (3)	O1^liv—H1—O2^lxxix	95.19 (4)
O1^xxxv—P1—H1^xxxviii	160.27 (3)	O1^liv—H1—O2^xlvi	102.64 (5)
O1^xxxv—P1—H1^xxxix	61.80 (3)	O1^liv—H1—O2^i	74.23 (9)
O1^xxxvi—P1—O1^xxxvii	34.11 (2)	O1^liv—H1—O2^xlviii	38.52 (2)
O1^xxxvi—P1—O1^xxxviii	122.75 (3)	O1^liv—H1—O2^xlix	91.79 (4)
O1^xxxvi—P1—O1^xxxix	104.28 (3)	O1^liv—H1—O2^l	69.64 (3)
O1^xxxvi—P1—O2^xl	89.58 (5)	O1^liv—H1—O3^li	143.30 (6)
O1^xxxvi—P1—O2^xli	74.53 (4)	O1^liv—H1—O3^lii	51.07 (2)
O1^xxxvi—P1—O2^xlii	166.71 (5)	O1^liv—H1—H1^lxvii	99.09 (4)
O1^xxxvi—P1—O3	56.33 (4)	O1^liv—H1—H1^lxviii	112.27 (5)
O1^xxxvi—P1—H1^xxxi	142.35 (5)	O1^liv—H1—H1^liii	90.12 (4)
O1^xxxvi—P1—H1^xxxiii	88.52 (5)	O1^liv—H1—H1^liv	22.13 (3)
O1^xxxvi—P1—H1^xxxv	50.14 (4)	O1^liv—H1—H1^xliv	117.41 (4)
O1^xxxvi—P1—H1^xxxvii	36.75 (2)	O1^liv—H1—H1^xlv	80.76 (4)
O1^xxxvi—P1—H1^xxxviii	128.18 (3)	O1^xliv—H1—O1^xlv	40.12 (3)
O1^xxxvi—P1—H1^xxxix	83.90 (3)	O1^xliv—H1—O2^lxxix	115.52 (5)
O1^xxxvii—P1—O1^xxxviii	119.94 (3)	O1^xliv—H1—O2^xlvi	70.83 (4)
O1^xxxvii—P1—O1^xxxix	119.94 (3)	O1^xliv—H1—O2^i	118.59 (12)
O1^xxxvii—P1—O2^xl	63.37 (4)	O1^xliv—H1—O2^xlviii	92.36 (5)
O1^xxxvii—P1—O2^xli	63.99 (4)	O1^xliv—H1—O2^xlix	143.51 (6)
O1^xxxvii—P1—O2^xlii	156.53 (5)	O1^xliv—H1—O2^l	66.50 (4)
O1^xxxvii—P1—O3	88.61 (5)	O1^xliv—H1—O3^li	92.52 (5)
O1^xxxvii—P1—H1^xxxi	166.16 (5)	O1^xliv—H1—O3^lii	58.68 (4)
O1^xxxvii—P1—H1^xxxiii	73.71 (5)	O1^xliv—H1—H1^lxvii	127.04 (6)
O1^xxxvii—P1—H1^xxxv	46.77 (4)	O1^xliv—H1—H1^lxviii	67.34 (4)
O1^xxxvii—P1—H1^xxxvii	20.67 (3)	O1^xliv—H1—H1^liii	156.93 (7)
O1^xxxvii—P1—H1^xxxviii	137.53 (3)	O1^xliv—H1—H1^liv	98.33 (5)
O1^xxxvii—P1—H1^xxxix	100.68 (3)	O1^xliv—H1—H1^xliv	15.71 (3)
O1^xxxviii—P1—O1^xxxix	119.94 (3)	O1^xliv—H1—H1^xlv	56.43 (4)
O1^xxxviii—P1—O2^xl	63.99 (4)	O1^xlv—H1—O2^lxxix	153.66 (5)
O1^xxxviii—P1—O2^xli	156.53 (5)	O1^xlv—H1—O2^xlvi	110.62 (5)
O1^xxxviii—P1—O2^xlii	63.37 (4)	O1^xlv—H1—O2^i	157.26 (12)
O1^xxxviii—P1—O3	88.61 (5)	O1^xlv—H1—O2^xlviii	68.89 (3)
O1^xxxviii—P1—H1^xxxi	73.71 (5)	O1^xlv—H1—O2^xlix	105.70 (4)
O1^xxxviii—P1—H1^xxxiii	46.77 (4)	O1^xlv—H1—O2^l	35.35 (2)
O1^xxxviii—P1—H1^xxxv	166.16 (5)	O1^xlv—H1—O3^li	112.63 (5)
O1^xxxviii—P1—H1^xxxvii	100.68 (3)	O1^xlv—H1—O3^lii	52.84 (3)
O1^xxxviii—P1—H1^xxxviii	20.67 (3)	O1^xlv—H1—H1^lxvii	158.65 (5)
O1^xxxviii—P1—H1^xxxix	137.53 (3)	O1^xlv—H1—H1^lxviii	105.84 (4)
O1^xxxix—P1—O2^xl	156.53 (5)	O1^xlv—H1—H1^liii	120.98 (5)
O1^xxxix—P1—O2^xli	63.37 (4)	O1^xlv—H1—H1^liv	82.56 (4)
O1^xxxix—P1—O2^xlii	63.99 (4)	O1^xlv—H1—H1^xliv	51.27 (3)
O1^xxxix—P1—O3	88.61 (5)	O1^xlv—H1—H1^xlv	22.90 (3)
O1^xxxix—P1—H1^xxxi	46.77 (4)	O2^lxxix—H1—O2^xlvi	45.00 (3)
O1^xxxix—P1—H1^xxxiii	166.16 (5)	O2^lxxix—H1—O2^i	21.09 (8)
O1^xxxix—P1—H1^xxxv	73.71 (5)	O2^lxxix—H1—O2^xlviii	132.63 (5)
O1^xxxix—P1—H1^xxxvii	137.53 (3)	O2^lxxix—H1—O2^xlix	94.05 (4)
O1^xxxix—P1—H1^xxxviii	100.68 (3)	O2^lxxix—H1—O2^l	164.18 (5)
O1^xxxix—P1—H1^xxxix	20.67 (3)	O2^lxxix—H1—O3^li	48.13 (3)
O2^xl—P1—O2^xli	103.59 (6)	O2^lxxix—H1—O3^lii	131.76 (5)
O2^xl—P1—O2^xlii	103.59 (6)	O2^lxxix—H1—H1^lxvii	14.75 (3)
O2^xl—P1—O3	114.86 (7)	O2^lxxix—H1—H1^lxviii	48.37 (3)
O2^xl—P1—H1^xxxi	126.57 (7)	O2^lxxix—H1—H1^liii	78.98 (4)
O2^xl—P1—H1^xxxiii	24.51 (5)	O2^lxxix—H1—H1^liv	116.80 (5)
O2^xl—P1—H1^xxxv	102.67 (6)	O2^lxxix—H1—H1^xliv	102.80 (5)
O2^xl—P1—H1^xxxvii	52.86 (4)	O2^lxxix—H1—H1^xlv	168.84 (5)
O2^xl—P1—H1^xxxviii	84.63 (5)	O2^xlvi—H1—O2^i	50.87 (9)
O2^xl—P1—H1^xxxix	156.45 (5)	O2^xlvi—H1—O2^xlviii	132.96 (5)
O2^xli—P1—O2^xlii	103.59 (6)	O2^xlvi—H1—O2^xlix	137.02 (5)
O2^xli—P1—O3	114.86 (7)	O2^xlvi—H1—O2^l	131.95 (5)
O2^xli—P1—H1^xxxi	102.67 (6)	O2^xlvi—H1—O3^li	53.12 (4)
O2^xli—P1—H1^xxxiii	126.57 (7)	O2^xlvi—H1—O3^lii	103.19 (4)
O2^xli—P1—H1^xxxv	24.51 (5)	O2^xlvi—H1—H1^lxvii	58.25 (4)
O2^xli—P1—H1^xxxvii	84.63 (5)	O2^xlvi—H1—H1^lxviii	9.80 (3)
O2^xli—P1—H1^xxxviii	156.45 (5)	O2^xlvi—H1—H1^liii	122.96 (6)
O2^xli—P1—H1^xxxix	52.86 (4)	O2^xlvi—H1—H1^liv	120.73 (6)
O2^xlii—P1—O3	114.86 (7)	O2^xlvi—H1—H1^xliv	59.81 (4)
O2^xlii—P1—H1^xxxi	24.51 (5)	O2^xlvi—H1—H1^xlv	125.53 (5)
O2^xlii—P1—H1^xxxiii	102.67 (6)	O2^i—H1—O2^xlviii	112.21 (11)
O2^xlii—P1—H1^xxxv	126.57 (7)	O2^i—H1—O2^xlix	96.79 (10)
O2^xlii—P1—H1^xxxvii	156.45 (5)	O2^i—H1—O2^l	143.23 (11)
O2^xlii—P1—H1^xxxviii	52.86 (4)	O2^i—H1—O3^li	69.07 (9)
O2^xlii—P1—H1^xxxix	84.63 (5)	O2^i—H1—O3^lii	113.49 (11)
O3—P1—H1^xxxi	94.31 (6)	O2^i—H1—H1^lxvii	29.84 (8)
O3—P1—H1^xxxiii	94.31 (6)	O2^i—H1—H1^lxviii	57.88 (9)
O3—P1—H1^xxxv	94.31 (6)	O2^i—H1—H1^liii	81.63 (10)
O3—P1—H1^xxxvii	79.98 (5)	O2^i—H1—H1^liv	96.07 (10)
O3—P1—H1^xxxviii	79.98 (5)	O2^i—H1—H1^xliv	110.25 (11)
O3—P1—H1^xxxix	79.98 (5)	O2^i—H1—H1^xlv	151.96 (12)
H1^xxxi—P1—H1^xxxiii	119.44 (7)	O2^xlviii—H1—O2^xlix	81.34 (4)
H1^xxxi—P1—H1^xxxv	119.44 (7)	O2^xlviii—H1—O2^l	33.78 (2)
H1^xxxi—P1—H1^xxxvii	172.21 (5)	O2^xlviii—H1—O3^li	173.41 (6)
H1^xxxi—P1—H1^xxxviii	56.28 (5)	O2^xlviii—H1—O3^lii	36.74 (2)
H1^xxxi—P1—H1^xxxix	66.64 (5)	O2^xlviii—H1—H1^lxvii	132.40 (5)
H1^xxxiii—P1—H1^xxxv	119.44 (7)	O2^xlviii—H1—H1^lxviii	140.35 (5)
H1^xxxiii—P1—H1^xxxvii	56.28 (5)	O2^xlviii—H1—H1^liii	89.44 (4)
H1^xxxiii—P1—H1^xxxviii	66.64 (5)	O2^xlviii—H1—H1^liv	16.39 (3)
H1^xxxiii—P1—H1^xxxix	172.21 (5)	O2^xlviii—H1—H1^xliv	108.06 (5)
H1^xxxv—P1—H1^xxxvii	66.64 (5)	O2^xlviii—H1—H1^xlv	46.12 (3)
H1^xxxv—P1—H1^xxxviii	172.21 (5)	O2^xlix—H1—O2^l	91.03 (4)
H1^xxxv—P1—H1^xxxix	56.28 (5)	O2^xlix—H1—O3^li	92.11 (4)
H1^xxxvii—P1—H1^xxxviii	117.04 (3)	O2^xlix—H1—O3^lii	116.98 (4)
H1^xxxvii—P1—H1^xxxix	117.04 (3)	O2^xlix—H1—H1^lxvii	79.74 (4)
H1^xxxviii—P1—H1^xxxix	117.04 (3)	O2^xlix—H1—H1^lxviii	135.07 (5)
S1^lxxii—O1—P1^li	99.56 (4)	O2^xlix—H1—H1^liii	15.38 (3)
S1^lxxii—O1—P1^xxii	70.79 (3)	O2^xlix—H1—H1^liv	85.64 (4)
S1^lxxii—O1—P1^lii	93.62 (4)	O2^xlix—H1—H1^xliv	144.18 (5)
S1^lxxii—O1—O1^xliii	35.08 (3)	O2^xlix—H1—H1^xlv	96.46 (4)
S1^lxxii—O1—O1^xliv	35.36 (3)	O2^l—H1—O3^li	146.69 (5)
S1^lxxii—O1—O1^xlv	35.36 (3)	O2^l—H1—O3^lii	34.233 (19)
S1^lxxii—O1—O2^xlvi	82.39 (3)	O2^l—H1—H1^lxvii	165.37 (5)
S1^lxxii—O1—O2^i	115.84 (5)	O2^l—H1—H1^lxviii	132.19 (5)
S1^lxxii—O1—O2^xlvii	52.74 (3)	O2^l—H1—H1^liii	104.76 (4)
S1^lxxii—O1—O2^xlviii	118.42 (5)	O2^l—H1—H1^liv	48.65 (3)
S1^lxxii—O1—O2^xlix	155.46 (5)	O2^l—H1—H1^xliv	81.30 (4)
S1^lxxii—O1—O2^l	83.50 (4)	O2^l—H1—H1^xlv	12.45 (3)
S1^lxxii—O1—O3^li	92.88 (4)	O3^li—H1—O3^lii	149.38 (5)
S1^lxxii—O1—O3^xxii	89.59 (4)	O3^li—H1—H1^lxvii	46.06 (4)
S1^lxxii—O1—O3^lii	80.22 (4)	O3^li—H1—H1^lxviii	46.06 (4)
S1^lxxii—O1—H1	115.48 (8)	O3^li—H1—H1^liii	84.34 (5)
S1^lxxii—O1—H1^xliii	46.41 (4)	O3^li—H1—H1^liv	164.63 (7)
S1^lxxii—O1—H1^liii	156.29 (5)	O3^li—H1—H1^xliv	76.91 (4)
S1^lxxii—O1—H1^liv	121.93 (5)	O3^li—H1—H1^xlv	134.86 (6)
S1^lxxii—O1—H1^xliv	29.04 (3)	O3^lii—H1—H1^lxvii	143.32 (5)
S1^lxxii—O1—H1^xlv	68.31 (5)	O3^lii—H1—H1^lxviii	107.49 (4)
P1^li—O1—P1^xxii	133.89 (3)	O3^lii—H1—H1^liii	126.18 (5)
P1^li—O1—P1^lii	121.63 (3)	O3^lii—H1—H1^liv	39.65 (3)
P1^li—O1—O1^xliii	90.20 (3)	O3^lii—H1—H1^xliv	73.76 (4)
P1^li—O1—O1^xliv	73.78 (3)	O3^lii—H1—H1^xlv	38.66 (3)
P1^li—O1—O1^xlv	133.07 (4)	H1^lxvii—H1—H1^lxviii	60.00 (4)
P1^li—O1—O2^xlvi	21.784 (18)	H1^lxvii—H1—H1^liii	64.93 (4)
P1^li—O1—O2^i	23.40 (2)	H1^lxvii—H1—H1^liv	118.68 (5)
P1^li—O1—O2^xlvii	119.89 (3)	H1^lxvii—H1—H1^xliv	112.78 (5)
P1^li—O1—O2^xlviii	109.72 (3)	H1^lxvii—H1—H1^xlv	176.20 (6)
P1^li—O1—O2^xlix	82.14 (3)	H1^lxviii—H1—H1^liii	122.73 (5)
P1^li—O1—O2^l	146.16 (3)	H1^lxviii—H1—H1^liv	129.57 (6)
P1^li—O1—O3^li	23.843 (19)	H1^lxviii—H1—H1^xliv	54.57 (4)
P1^li—O1—O3^xxii	127.60 (3)	H1^lxviii—H1—H1^xlv	123.61 (5)
P1^li—O1—O3^lii	106.61 (3)	H1^liii—H1—H1^liv	89.76 (5)
P1^li—O1—H1	23.21 (6)	H1^liii—H1—H1^xliv	151.82 (6)
P1^li—O1—H1^xliii	112.15 (4)	H1^liii—H1—H1^xlv	111.27 (5)
P1^li—O1—H1^liii	68.11 (3)	H1^liv—H1—H1^xliv	113.29 (5)
P1^li—O1—H1^liv	94.70 (3)	H1^liv—H1—H1^xlv	60.50 (4)
P1^li—O1—H1^xliv	71.91 (3)	H1^xliv—H1—H1^xlv	70.44 (4)
P1^li—O1—H1^xlv	148.51 (5)

Symmetry codes: (i) y, z, x; (ii) −y, z−1/2, −x+1/2; (iii) x−1, y−1, z−1; (iv) x−1, −y+1, −z+3/2; (v) y−3/4, x−3/4, z−3/4; (vi) y−3/4, −x+3/4, −z+5/4; (vii) z, x−1, y; (viii) z, −x+1, −y+1/2; (ix) y+1/4, x−3/4, z+1/4; (x) y+1/4, −x+3/4, −z+1/4; (xi) −x+3/4, z−1/4, −y+1/4; (xii) −x+3/4, −z+1/4, y+1/4; (xiii) x, y−1, z; (xiv) x, −y+1, −z+1/2; (xv) y−1, z, x; (xvi) y−1, −z, −x+1/2; (xvii) z+1/4, y−3/4, x+1/4; (xviii) z+1/4, −y+3/4, −x+1/4; (xix) x−1, y, z; (xx) x−1, −y, −z+1/2; (xxi) −x+3/2, −y+1, z−1/2; (xxii) −x+3/2, y−1, −z+1; (xxiii) −y+1/2, z, −x+1; (xxiv) −y+1/2, −z, x−1/2; (xxv) −x+1/2, −y+1, z+1/2; (xxvi) −x+1/2, y−1, −z; (xxvii) −z+1/2, −x, y−1/2; (xxviii) −z+1/2, x, −y+1; (xxix) x+1/4, z+1/4, y−3/4; (xxx) x+1/4, −z−1/4, −y+5/4; (xxxi) x, y+1, z+1; (xxxii) −x+3/2, y+1, −z+1; (xxxiii) z+1, x, y+1; (xxxiv) −z+1, −x+3/2, y+1; (xxxv) y+1, z+1, x; (xxxvi) y+1, −z+1, −x+3/2; (xxxvii) −y+5/4, −x+7/4, z+3/4; (xxxviii) −x+7/4, z+3/4, −y+5/4; (xxxix) z+3/4, −y+5/4, −x+7/4; (xl) x+1, y, z+1; (xli) z+1, x+1, y; (xlii) y, z+1, x+1; (xliii) −x+3/2, y, −z; (xliv) z+3/4, −y+1/4, −x+3/4; (xlv) −z+3/4, −y+1/4, x−3/4; (xlvi) z+1, x, y−1; (xlvii) −y+3/2, z, −x; (xlviii) −y+7/4, −x+1/4, z+1/4; (xlix) −y+7/4, x−1/4, −z+1/4; (l) −x+3/4, −z+1/4, y−3/4; (li) x, y−1, z−1; (lii) −y+7/4, −x+5/4, z−3/4; (liii) −x+7/4, z−1/4, −y+1/4; (liv) −x+7/4, −z+1/4, y+1/4; (lv) z, x+1, y−1; (lvi) y−1, z+1, x; (lvii) z+1/4, −y+7/4, −x+1/4; (lviii) −z+1/4, −y+7/4, x−1/4; (lix) x−1, y, z−1; (lx) y−3/4, x+1/4, z−3/4; (lxi) x−1, y+1, z; (lxii) z, x, y; (lxiii) y, z+1, x−1; (lxiv) −y+1/4, −x+7/4, z−1/4; (lxv) y+1/4, −x+7/4, −z+1/4; (lxvi) −x+3/4, z+3/4, −y+1/4; (lxvii) z+1, x−1, y; (lxviii) y+1, z, x−1; (lxix) −x+3/2, −y+1, z+1/2; (lxx) z+1/2, −x+3/2, −y+1; (lxxi) −y+1, z+1/2, −x+3/2; (lxxii) z+1/2, −x+1/2, −y; (lxxiii) −x+1/2, −y+1, z−1/2; (lxxiv) −y, z+1/2, −x+1/2; (lxxv) −z, −x+3/2, y; (lxxvi) y−1/4, x+3/4, z+3/4; (lxxvii) x+3/4, z+3/4, y−1/4; (lxxviii) z+3/4, y−1/4, x+3/4; (lxxix) x+1, y−1, z.