Crystal growth, structure and characterization of Er₆B₄O₁₅ as self-activated eye-safe laser material within the near-infrared waveband

A new rare-earth borate Er₆B₄O₁₅ was synthesized by a solid-state reaction technique. The crystal was obtained by a flux method. Single-crystal X-ray diffraction analysis revealed that the crystal structure is composed of ErO₆ polyhedra sharing edges and BO₃ groups. The absorption, near-infrared fluorescence spectra and the fluorescence decay curve of Er: ⁴I_13/2 energy level in the Er₆B₄O₁₅ crystal were measured at room temperature. The absorption peak was located at 977 nm with absorption cross section of 1.16 × 10⁻²¹ cm² and a full width at half-maximum (FWHM) of 16 nm, which is very suitable for commercial 980 nm laser diode pumping. A maximum emission peak at 1560 mm with a broad FWHM of 64 nm was observed in this crystal because of the Er³⁺ transition ⁴I_13/2→⁴I_15/2, while the emission cross section was calculated to be 8.53 × 10⁻²⁰ cm². These results imply that the Er₆B₄O₁₅ crystal is a promising candidate material for the achievement of an eye-safe near-infrared wavelength laser.

Computing details

Data collection: CrystalClear (Rigaku Inc., 2008); cell refinement: CrystalClear (Rigaku Inc., 2008); data reduction: CrystalClear (Rigaku Inc., 2008); program(s) used to solve structure: ????; program(s) used to refine structure: SHELXL (Sheldrick, 2015); molecular graphics: Olex2 (Dolomanov et al., 2009); software used to prepare material for publication: Olex2 (Dolomanov et al., 2009).

(I)

Crystal data

B4Er6O15	F(000) = 2172
Mr = 1287.04	Dx = 7.429 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
a = 8.3553 (5) Å	Cell parameters from 2561 reflections
b = 15.4882 (9) Å	θ = 2.3–27.6°
c = 8.8208 (6) Å	µ = 43.72 mm^−1
β = 91.899 (4)°	T = 293 K
V = 1140.86 (12) Å^3	Prism, pink
Z = 4	0.6 × 0.45 × 0.1 mm

Data collection

Mercury70 (2x2 bin mode) diffractometer	2620 independent reflections
Radiation source: Sealed Tube	2035 reflections with I > 2σ(I)
Graphite Monochromator monochromator	Rint = 0.069
Detector resolution: 14.6306 pixels mm^-1	θmax = 27.5°, θmin = 2.6°
CCD_Profile_fitting scans	h = −10→10
Absorption correction: multi-scan	k = −20→20
Tmin = 0.342, Tmax = 1.000	l = −11→11
8678 measured reflections

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.186P)^2 + 147.964P] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.053	(Δ/σ)max < 0.001
wR(F^2) = 0.137	Δρmax = 1.06 e Å^−3
S = 1.04	Δρmin = −1.07 e Å^−3
2620 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
128 parameters	Extinction coefficient: 0.0017 (3)

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

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

	x	y	z	Uiso*/Ueq
Er1	0.1991 (2)	0.00367 (11)	0.93909 (17)	0.0074 (5)
Er2	0.1442 (2)	0.17793 (11)	1.19306 (18)	0.0078 (5)
Er5	0.4573 (2)	−0.17469 (11)	0.94590 (19)	0.0108 (5)
Er3	0.4483 (2)	−0.01325 (11)	1.28407 (18)	0.0093 (5)
Er4	0.0764 (2)	−0.16594 (11)	1.16681 (18)	0.0088 (5)
Er6	0.2238 (2)	−0.14521 (11)	0.57689 (18)	0.0098 (5)
O10	0.340 (3)	−0.0787 (14)	0.781 (2)	0.001*
O4	0.342 (3)	0.0839 (15)	1.125 (2)	0.001*
O9	0.148 (3)	−0.2289 (15)	1.379 (2)	0.001*
O13	−0.033 (3)	−0.0861 (14)	0.618 (2)	0.001*
O7	0.303 (3)	−0.1005 (14)	1.105 (2)	0.001*
O5	0.005 (3)	0.0916 (15)	1.040 (2)	0.001*
O1	0.052 (3)	0.2708 (14)	0.994 (2)	0.001*
O2	0.285 (3)	0.2052 (14)	1.423 (2)	0.001*
O12	0.060 (3)	−0.2512 (14)	0.679 (2)	0.001*
O11	0.315 (3)	−0.2758 (14)	0.773 (2)	0.001*
O14	0.211 (3)	−0.0339 (14)	0.407 (2)	0.001*
O8	−0.039 (3)	−0.0508 (15)	1.275 (2)	0.001*
O3	0.460 (3)	0.0868 (14)	1.490 (2)	0.001*
O6	0.649 (3)	−0.1065 (15)	1.200 (2)	0.001*
B3	0.173 (5)	−0.306 (2)	0.721 (4)	0.001*
B1	0.428 (5)	0.174 (2)	1.476 (4)	0.001*
B2	0.069 (5)	0.001 (2)	1.361 (4)	0.001*
O15	−0.175 (4)	−0.103 (2)	0.436 (4)	0.035 (8)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Er1	0.0073 (5)	0.0074 (5)	0.0074 (5)	0.00001 (10)	0.00035 (10)	−0.00004 (10)
Er2	0.0078 (5)	0.0078 (5)	0.0079 (5)	0.00000 (10)	0.00034 (10)	−0.00001 (10)
Er5	0.0108 (5)	0.0109 (5)	0.0108 (5)	0.00008 (10)	0.00041 (10)	−0.00002 (10)
Er3	0.0092 (5)	0.0093 (5)	0.0093 (5)	0.00000 (10)	0.00038 (10)	0.00002 (10)
Er4	0.0088 (5)	0.0088 (5)	0.0089 (5)	0.00001 (10)	0.00035 (10)	0.00003 (10)
Er6	0.0098 (5)	0.0098 (5)	0.0099 (5)	−0.00001 (10)	0.00038 (10)	−0.00002 (10)

Geometric parameters (Å, º)

Er1—Er1^i	3.531 (4)	Er4—O1^i	2.39 (2)
Er1—Er3^ii	3.600 (3)	Er4—O2^ix	2.45 (2)
Er1—Er4^i	3.514 (2)	Er4—O11^x	2.57 (2)
Er1—Er6	3.951 (2)	Er4—O8	2.25 (2)
Er1—O10	2.25 (2)	Er4—B1^ix	2.78 (4)
Er1—O4	2.35 (2)	Er6—Er2^xi	3.816 (2)
Er1—O7	2.33 (2)	Er6—Er2^i	3.774 (3)
Er1—O5	2.32 (2)	Er6—Er5^xii	3.729 (2)
Er1—O5^i	2.27 (2)	Er6—Er4^xiii	3.796 (2)
Er1—O8^i	2.39 (2)	Er6—O10	2.27 (2)
Er1—O6^ii	2.40 (2)	Er6—O9^xiii	2.25 (2)
Er2—Er5^ii	3.587 (3)	Er6—O13	2.37 (2)
Er2—Er4^iii	3.554 (2)	Er6—O1^xi	2.38 (2)
Er2—Er4^i	3.622 (2)	Er6—O12	2.34 (2)
Er2—Er6^iv	3.816 (2)	Er6—O14	2.28 (2)
Er2—Er6^i	3.774 (3)	Er6—O3^ii	2.87 (3)
Er2—O4	2.30 (2)	Er6—B1^ii	3.00 (4)
Er2—O9^iii	2.36 (2)	O10—Er3^ii	2.36 (2)
Er2—O13^i	2.40 (2)	O4—Er5^ii	2.29 (2)
Er2—O5	2.20 (2)	O9—Er2^ix	2.36 (2)
Er2—O1	2.38 (2)	O9—Er5^x	2.27 (2)
Er2—O2	2.35 (2)	O9—Er6^vii	2.25 (2)
Er2—O12^i	2.36 (2)	O13—Er2^i	2.40 (2)
Er5—Er2^ii	3.587 (3)	O13—B2^i	1.37 (4)
Er5—Er3^ii	3.649 (2)	O5—Er1^i	2.27 (2)
Er5—Er4	3.788 (3)	O5—Er4^i	2.25 (2)
Er5—Er4^v	3.648 (2)	O1—Er4^i	2.39 (2)
Er5—Er6^vi	3.729 (2)	O1—Er6^iv	2.38 (2)
Er5—O10	2.28 (2)	O1—B1^xiv	1.35 (4)
Er5—O4^ii	2.29 (2)	O2—Er4^iii	2.45 (2)
Er5—O9^v	2.27 (2)	O2—B1	1.35 (4)
Er5—O7	2.25 (2)	O12—Er2^i	2.36 (2)
Er5—O12^vi	2.48 (2)	O12—Er5^xii	2.48 (2)
Er5—O11	2.46 (2)	O12—B3	1.32 (4)
Er5—B3^vi	2.99 (3)	O11—Er4^v	2.57 (2)
Er3—Er1^ii	3.600 (3)	O11—B3	1.34 (4)
Er3—Er5^ii	3.649 (2)	O14—Er3^xiii	2.31 (3)
Er3—Er6^ii	3.849 (2)	O14—B2^xiii	1.35 (4)
Er3—Er6^vii	3.833 (3)	O8—Er1^i	2.39 (2)
Er3—O10^ii	2.36 (2)	O8—B2	1.40 (4)
Er3—O4	2.22 (2)	O3—Er3^viii	2.40 (2)
Er3—O7	2.38 (2)	O3—Er6^ii	2.87 (3)
Er3—O14^vii	2.31 (3)	O3—B1	1.38 (4)
Er3—O3	2.38 (2)	O6—Er1^ii	2.40 (2)
Er3—O3^viii	2.40 (2)	O6—B3^vi	1.38 (4)
Er3—O6	2.35 (2)	B3—Er5^xii	2.99 (3)
Er4—Er1^i	3.514 (2)	B3—O6^xii	1.38 (4)
Er4—Er2^i	3.622 (2)	B1—Er4^iii	2.78 (4)
Er4—Er2^ix	3.554 (2)	B1—Er6^ii	3.00 (4)
Er4—Er5^x	3.648 (2)	B1—O1^xv	1.35 (4)
Er4—O9	2.17 (2)	B2—O13^i	1.37 (4)
Er4—O7	2.23 (3)	B2—O14^vii	1.35 (4)
Er4—O5^i	2.25 (2)
Er1^i—Er1—Er3^ii	164.56 (8)	O3^viii—Er3—Er5^ii	140.5 (6)
Er1^i—Er1—Er6	107.60 (7)	O3^viii—Er3—Er5	108.6 (5)
Er3^ii—Er1—Er6	61.07 (5)	O3—Er3—Er5	176.5 (6)
Er4^i—Er1—Er1^i	59.23 (6)	O3—Er3—Er5^ii	84.3 (5)
Er4^i—Er1—Er3^ii	111.46 (6)	O3^viii—Er3—Er6^ii	80.4 (6)
Er4^i—Er1—Er6	104.70 (5)	O3^viii—Er3—Er6^vii	48.4 (6)
O10—Er1—Er1^i	133.5 (6)	O3—Er3—Er6^ii	48.1 (6)
O10—Er1—Er3^ii	39.7 (6)	O3—Er3—Er6^vii	81.0 (6)
O10—Er1—Er4^i	126.3 (5)	O3—Er3—O3^viii	70.8 (9)
O10—Er1—Er6	29.1 (6)	O6—Er3—Er1^ii	41.3 (6)
O10—Er1—O4	117.9 (8)	O6—Er3—Er5^ii	98.4 (6)
O10—Er1—O7	78.8 (8)	O6—Er3—Er5	48.1 (5)
O10—Er1—O5^i	95.3 (9)	O6—Er3—Er6^vii	104.7 (6)
O10—Er1—O5	163.4 (7)	O6—Er3—Er6^ii	89.2 (6)
O10—Er1—O8^i	88.6 (8)	O6—Er3—O10^ii	75.3 (8)
O10—Er1—O6^ii	76.2 (8)	O6—Er3—O7	78.2 (8)
O4—Er1—Er1^i	105.4 (6)	O6—Er3—O3	128.8 (8)
O4—Er1—Er3^ii	87.4 (6)	O6—Er3—O3^viii	76.1 (8)
O4—Er1—Er4^i	96.9 (6)	Er1^i—Er4—Er2^i	59.59 (5)
O4—Er1—Er6	146.5 (6)	Er1^i—Er4—Er2^ix	174.90 (6)
O4—Er1—O8^i	130.4 (8)	Er1^i—Er4—Er5^x	118.19 (7)
O4—Er1—O6^ii	75.1 (7)	Er2^ix—Er4—Er2^i	125.39 (6)
O7—Er1—Er1^i	97.0 (6)	Er2^i—Er4—Er5^x	114.48 (6)
O7—Er1—Er3^ii	94.5 (6)	Er2^ix—Er4—Er5^x	59.72 (5)
O7—Er1—Er4^i	152.9 (6)	O9—Er4—Er1^i	135.1 (6)
O7—Er1—Er6	94.4 (5)	O9—Er4—Er2^ix	40.3 (6)
O7—Er1—O4	75.9 (8)	O9—Er4—Er2^i	147.9 (6)
O7—Er1—O8^i	153.6 (8)	O9—Er4—Er5^x	35.8 (6)
O7—Er1—O6^ii	126.1 (8)	O9—Er4—O7	101.7 (8)
O5^i—Er1—Er1^i	40.1 (6)	O9—Er4—O5^i	175.1 (8)
O5—Er1—Er1^i	39.1 (6)	O9—Er4—O1^i	108.1 (8)
O5^i—Er1—Er3^ii	134.7 (6)	O9—Er4—O2^ix	78.2 (8)
O5—Er1—Er3^ii	141.4 (6)	O9—Er4—O11^x	75.0 (8)
O5—Er1—Er4^i	38.9 (5)	O9—Er4—O8	95.7 (8)
O5^i—Er1—Er4^i	89.9 (6)	O9—Er4—B1^ix	89.3 (9)
O5^i—Er1—Er6	75.3 (6)	O7—Er4—Er1^i	99.4 (6)
O5—Er1—Er6	135.3 (5)	O7—Er4—Er2^i	102.8 (5)
O5^i—Er1—O4	130.8 (8)	O7—Er4—Er2^ix	80.8 (6)
O5—Er1—O4	76.4 (8)	O7—Er4—Er5^x	136.4 (5)
O5—Er1—O7	114.6 (8)	O7—Er4—O5^i	78.9 (8)
O5^i—Er1—O7	76.4 (8)	O7—Er4—O1^i	122.1 (8)
O5^i—Er1—O5	79.3 (9)	O7—Er4—O2^ix	83.0 (8)
O5^i—Er1—O8^i	81.9 (8)	O7—Er4—O11^x	170.8 (7)
O5—Er1—O8^i	75.2 (8)	O7—Er4—O8	96.9 (8)
O5^i—Er1—O6^ii	152.3 (7)	O7—Er4—B1^ix	107.0 (11)
O5—Er1—O6^ii	101.3 (8)	O5^i—Er4—Er1^i	40.4 (6)
O8^i—Er1—Er1^i	75.0 (6)	O5^i—Er4—Er2^ix	144.1 (6)
O8^i—Er1—Er3^ii	90.2 (6)	O5^i—Er4—Er2^i	35.1 (6)
O8^i—Er1—Er4^i	39.4 (6)	O5^i—Er4—Er5^x	144.4 (6)
O8^i—Er1—Er6	65.4 (6)	O5^i—Er4—O1^i	75.3 (8)
O8^i—Er1—O6^ii	71.7 (8)	O5^i—Er4—O2^ix	106.7 (8)
O6^ii—Er1—Er1^i	134.2 (6)	O5^i—Er4—O11^x	103.7 (8)
O6^ii—Er1—Er3^ii	40.2 (6)	O5^i—Er4—O8	79.4 (8)
O6^ii—Er1—Er4^i	75.1 (6)	O5^i—Er4—B1^ix	95.2 (9)
O6^ii—Er1—Er6	86.0 (5)	O1^i—Er4—Er1^i	92.9 (5)
Er5^ii—Er2—Er4^i	98.69 (6)	O1^i—Er4—Er2^ix	91.2 (5)
Er5^ii—Er2—Er6^i	164.60 (6)	O1^i—Er4—Er2^i	40.4 (5)
Er5^ii—Er2—Er6^iv	60.39 (5)	O1^i—Er4—Er5^x	79.3 (5)
Er4^iii—Er2—Er5^ii	61.44 (5)	O1^i—Er4—O2^ix	57.4 (7)
Er4^iii—Er2—Er4^i	130.46 (6)	O1^i—Er4—O11^x	66.9 (7)
Er4^iii—Er2—Er6^iv	61.87 (4)	O1^i—Er4—B1^ix	29.0 (9)
Er4^iii—Er2—Er6^i	116.21 (6)	O2^ix—Er4—Er1^i	143.9 (5)
Er4^i—Er2—Er6^iv	68.85 (5)	O2^ix—Er4—Er2^ix	41.2 (5)
Er4^i—Er2—Er6^i	93.69 (5)	O2^ix—Er4—Er2^i	84.6 (5)
Er6^i—Er2—Er6^iv	133.58 (6)	O2^ix—Er4—Er5^x	79.1 (5)
O4—Er2—Er5^ii	38.6 (6)	O2^ix—Er4—O11^x	104.4 (8)
O4—Er2—Er4^i	95.1 (5)	O2^ix—Er4—B1^ix	29.1 (10)
O4—Er2—Er4^iii	93.0 (6)	O11^x—Er4—Er1^i	77.9 (5)
O4—Er2—Er6^iv	93.9 (6)	O11^x—Er4—Er2^ix	101.0 (5)
O4—Er2—Er6^i	131.3 (6)	O11^x—Er4—Er2^i	83.5 (5)
O4—Er2—O9^iii	77.0 (9)	O11^x—Er4—Er5^x	42.4 (5)
O4—Er2—O13^i	95.9 (8)	O11^x—Er4—B1^ix	81.7 (10)
O4—Er2—O1	114.3 (8)	O8—Er4—Er1^i	42.4 (5)
O4—Er2—O2	89.7 (8)	O8—Er4—Er2^ix	132.5 (5)
O4—Er2—O12^i	164.7 (8)	O8—Er4—Er2^i	101.6 (5)
O9^iii—Er2—Er5^ii	38.4 (6)	O8—Er4—Er5^x	96.9 (6)
O9^iii—Er2—Er4^iii	36.6 (5)	O8—Er4—O1^i	126.9 (8)
O9^iii—Er2—Er4^i	98.9 (5)	O8—Er4—O2^ix	173.7 (7)
O9^iii—Er2—Er6^iv	33.2 (5)	O8—Er4—O11^x	75.1 (8)
O9^iii—Er2—Er6^i	147.8 (6)	O8—Er4—B1^ix	154.0 (10)
O9^iii—Er2—O13^i	148.6 (7)	B1^ix—Er4—Er1^i	121.3 (7)
O9^iii—Er2—O1	69.9 (8)	B1^ix—Er4—Er2^ix	63.2 (7)
O9^iii—Er2—O12^i	112.6 (8)	B1^ix—Er4—Er2^i	63.8 (7)
O13^i—Er2—Er5^ii	127.9 (6)	B1^ix—Er4—Er5^x	72.7 (8)
O13^i—Er2—Er4^iii	115.2 (5)	Er2^i—Er6—Er2^xi	119.78 (5)
O13^i—Er2—Er4^i	112.4 (5)	Er2^i—Er6—Er4^xiii	104.88 (6)
O13^i—Er2—Er6^iv	169.9 (6)	Er5^xii—Er6—Er2^i	65.00 (5)
O13^i—Er2—Er6^i	37.4 (6)	Er5^xii—Er6—Er2^xi	56.75 (5)
O5—Er2—Er5^ii	105.0 (7)	Er5^xii—Er6—Er4^xiii	57.99 (4)
O5—Er2—Er4^i	35.9 (6)	Er4^xiii—Er6—Er2^xi	55.67 (4)
O5—Er2—Er4^iii	162.3 (6)	O10—Er6—Er2^i	88.2 (6)
O5—Er2—Er6^iv	102.2 (6)	O10—Er6—Er2^xi	134.2 (6)
O5—Er2—Er6^i	80.0 (6)	O10—Er6—Er5^xii	145.3 (6)
O5—Er2—O4	79.9 (8)	O10—Er6—Er4^xiii	155.9 (6)
O5—Er2—O9^iii	125.7 (8)	O10—Er6—O13	94.0 (8)
O5—Er2—O13^i	81.8 (8)	O10—Er6—O1^xi	97.9 (8)
O5—Er2—O1	76.4 (8)	O10—Er6—O12	104.7 (8)
O5—Er2—O2	151.2 (8)	O10—Er6—O14	100.8 (8)
O5—Er2—O12^i	102.2 (8)	O10—Er6—O3^ii	69.3 (8)
O1—Er2—Er5^ii	92.2 (6)	O10—Er6—B1^ii	78.4 (9)
O1—Er2—Er4^iii	92.2 (5)	O9^xiii—Er6—Er2^i	97.2 (6)
O1—Er2—Er4^i	40.6 (5)	O9^xiii—Er6—Er2^xi	35.1 (6)
O1—Er2—Er6^i	103.2 (6)	O9^xiii—Er6—Er5^xii	34.7 (6)
O1—Er2—Er6^iv	36.7 (6)	O9^xiii—Er6—Er4^xiii	30.4 (6)
O1—Er2—O13^i	138.3 (8)	O9^xiii—Er6—O10	169.1 (9)
O2—Er2—Er5^ii	81.6 (6)	O9^xiii—Er6—O13	96.2 (8)
O2—Er2—Er4^iii	43.4 (6)	O9^xiii—Er6—O1^xi	71.7 (8)
O2—Er2—Er4^i	172.6 (5)	O9^xiii—Er6—O12	75.0 (8)
O2—Er2—Er6^i	87.3 (6)	O9^xiii—Er6—O14	85.4 (8)
O2—Er2—Er6^iv	105.3 (6)	O9^xiii—Er6—O3^ii	105.1 (7)
O2—Er2—O9^iii	76.7 (7)	O9^xiii—Er6—B1^ii	92.5 (9)
O2—Er2—O13^i	72.6 (8)	O13—Er6—Er2^xi	130.9 (5)
O2—Er2—O1	132.0 (8)	O13—Er6—Er2^i	38.1 (5)
O2—Er2—O12^i	81.3 (8)	O13—Er6—Er5^xii	78.6 (5)
O12^i—Er2—Er5^ii	149.5 (6)	O13—Er6—Er4^xiii	84.9 (5)
O12^i—Er2—Er4^iii	89.0 (5)	O13—Er6—O1^xi	167.1 (7)
O12^i—Er2—Er4^i	95.1 (5)	O13—Er6—O3^ii	138.8 (7)
O12^i—Er2—Er6^iv	100.4 (5)	O13—Er6—B1^ii	165.7 (9)
O12^i—Er2—Er6^i	36.4 (6)	O1^xi—Er6—Er2^xi	36.6 (5)
O12^i—Er2—O13^i	69.6 (8)	O1^xi—Er6—Er2^i	136.9 (5)
O12^i—Er2—O1	80.8 (8)	O1^xi—Er6—Er5^xii	88.7 (5)
Er2^ii—Er5—Er3^ii	66.48 (5)	O1^xi—Er6—Er4^xiii	86.3 (5)
Er2^ii—Er5—Er4	168.95 (6)	O1^xi—Er6—O3^ii	51.8 (7)
Er2^ii—Er5—Er4^v	58.84 (5)	O1^xi—Er6—B1^ii	26.0 (8)
Er2^ii—Er5—Er6^vi	62.86 (5)	O12—Er6—Er2^i	36.9 (6)
Er3^ii—Er5—Er4	117.26 (6)	O12—Er6—Er2^xi	85.5 (6)
Er3^ii—Er5—Er6^vi	129.13 (7)	O12—Er6—Er5^xii	40.8 (5)
Er4^v—Er5—Er3^ii	95.50 (6)	O12—Er6—Er4^xiii	97.6 (5)
Er4^v—Er5—Er4	128.61 (6)	O12—Er6—O13	70.6 (8)
Er4^v—Er5—Er6^vi	61.93 (4)	O12—Er6—O1^xi	101.2 (8)
Er6^vi—Er5—Er4	111.75 (6)	O12—Er6—O3^ii	148.8 (7)
O10—Er5—Er2^ii	100.1 (6)	O12—Er6—B1^ii	122.8 (9)
O10—Er5—Er3^ii	38.8 (6)	O14—Er6—Er2^i	115.7 (6)
O10—Er5—Er4^v	97.6 (6)	O14—Er6—Er2^xi	98.1 (6)
O10—Er5—Er4	87.4 (6)	O14—Er6—Er5^xii	110.4 (5)
O10—Er5—Er6^vi	157.8 (6)	O14—Er6—Er4^xiii	55.4 (5)
O10—Er5—O4^ii	74.2 (8)	O14—Er6—O13	77.7 (8)
O10—Er5—O12^vi	163.7 (8)	O14—Er6—O1^xi	104.9 (8)
O10—Er5—O11	80.3 (8)	O14—Er6—O12	140.2 (8)
O10—Er5—B3^vi	144.8 (9)	O14—Er6—O3^ii	69.5 (8)
O4^ii—Er5—Er2^ii	38.6 (6)	O14—Er6—B1^ii	91.8 (9)
O4^ii—Er5—Er3^ii	35.4 (5)	O3^ii—Er6—Er2^i	157.5 (4)
O4^ii—Er5—Er4^v	90.7 (6)	O3^ii—Er6—Er2^xi	79.2 (4)
O4^ii—Er5—Er4	138.9 (6)	O3^ii—Er6—Er5^xii	135.8 (4)
O4^ii—Er5—Er6^vi	96.3 (6)	O3^ii—Er6—Er4^xiii	95.9 (4)
O4^ii—Er5—O12^vi	106.0 (7)	O3^ii—Er6—B1^ii	27.1 (8)
O4^ii—Er5—O11	124.3 (8)	B1^ii—Er6—Er2^i	151.3 (7)
O4^ii—Er5—B3^vi	81.7 (9)	B1^ii—Er6—Er2^xi	59.6 (7)
O9^v—Er5—Er2^ii	40.2 (6)	B1^ii—Er6—Er5^xii	114.5 (7)
O9^v—Er5—Er3^ii	102.3 (6)	B1^ii—Er6—Er4^xiii	97.2 (7)
O9^v—Er5—Er4^v	34.0 (5)	Er1—O10—Er5	101.4 (8)
O9^v—Er5—Er4	139.8 (6)	Er1—O10—Er3^ii	102.8 (9)
O9^v—Er5—Er6^vi	34.3 (5)	Er1—O10—Er6	122.1 (11)
O9^v—Er5—O10	123.5 (8)	Er5—O10—Er3^ii	103.9 (9)
O9^v—Er5—O4^ii	78.9 (9)	Er6—O10—Er5	112.0 (9)
O9^v—Er5—O12^vi	71.8 (7)	Er6—O10—Er3^ii	112.8 (9)
O9^v—Er5—O11	75.5 (8)	Er2—O4—Er1	99.4 (8)
O9^v—Er5—B3^vi	74.8 (9)	Er5^ii—O4—Er1	119.4 (9)
O7—Er5—Er2^ii	141.0 (6)	Er5^ii—O4—Er2	102.8 (9)
O7—Er5—Er3^ii	94.5 (6)	Er3—O4—Er1	105.4 (9)
O7—Er5—Er4	32.1 (6)	Er3—O4—Er2	122.9 (10)
O7—Er5—Er4^v	160.1 (6)	Er3—O4—Er5^ii	107.9 (9)
O7—Er5—Er6^vi	122.4 (5)	Er5^x—O9—Er2^ix	101.3 (9)
O7—Er5—O10	79.8 (8)	Er4—O9—Er2^ix	103.1 (9)
O7—Er5—O4^ii	107.3 (9)	Er4—O9—Er5^x	110.1 (9)
O7—Er5—O9^v	156.4 (7)	Er4—O9—Er6^vii	118.1 (11)
O7—Er5—O12^vi	84.7 (8)	Er6^vii—O9—Er2^ix	111.6 (9)
O7—Er5—O11	115.8 (8)	Er6^vii—O9—Er5^x	111.0 (9)
O7—Er5—B3^vi	83.5 (9)	Er6—O13—Er2^i	104.5 (8)
O12^vi—Er5—Er2^ii	88.8 (6)	B2^i—O13—Er2^i	113 (2)
O12^vi—Er5—Er3^ii	139.0 (5)	B2^i—O13—Er6	127 (2)
O12^vi—Er5—Er4^v	98.7 (5)	Er1—O7—Er3	101.3 (8)
O12^vi—Er5—Er4	82.1 (6)	Er5—O7—Er1	99.8 (8)
O12^vi—Er5—Er6^vi	38.0 (5)	Er5—O7—Er3	114.4 (10)
O12^vi—Er5—B3^vi	25.9 (9)	Er4—O7—Er1	99.6 (9)
O11—Er5—Er2^ii	102.4 (6)	Er4—O7—Er5	115.3 (9)
O11—Er5—Er3^ii	105.8 (5)	Er4—O7—Er3	121.0 (10)
O11—Er5—Er4	86.8 (6)	Er1^i—O5—Er1	100.7 (9)
O11—Er5—Er4^v	44.8 (6)	Er2—O5—Er1	103.5 (9)
O11—Er5—Er6^vi	89.3 (5)	Er2—O5—Er1^i	136.7 (11)
O11—Er5—O12^vi	111.4 (7)	Er2—O5—Er4^i	109.0 (10)
O11—Er5—B3^vi	134.8 (9)	Er4^i—O5—Er1	100.7 (9)
B3^vi—Er5—Er2^ii	74.5 (8)	Er4^i—O5—Er1^i	100.9 (8)
B3^vi—Er5—Er3^ii	113.2 (7)	Er2—O1—Er4^i	98.9 (8)
B3^vi—Er5—Er4	94.7 (8)	Er2—O1—Er6^iv	106.6 (9)
B3^vi—Er5—Er4^v	108.0 (7)	Er6^iv—O1—Er4^i	123.8 (9)
B3^vi—Er5—Er6^vi	48.4 (7)	B1^xiv—O1—Er2	134 (2)
Er1^ii—Er3—Er5	64.59 (5)	B1^xiv—O1—Er4^i	91.9 (19)
Er1^ii—Er3—Er5^ii	57.81 (5)	B1^xiv—O1—Er6^iv	103 (2)
Er1^ii—Er3—Er6^ii	63.97 (5)	Er2—O2—Er4^iii	95.4 (7)
Er1^ii—Er3—Er6^vii	144.90 (6)	B1—O2—Er2	130 (2)
Er5^ii—Er3—Er5	94.38 (5)	B1—O2—Er4^iii	89 (2)
Er5^ii—Er3—Er6^ii	60.25 (4)	Er2^i—O12—Er5^xii	112.6 (9)
Er5^ii—Er3—Er6^vii	156.87 (7)	Er6—O12—Er2^i	106.7 (9)
Er6^vii—Er3—Er5	101.30 (6)	Er6—O12—Er5^xii	101.3 (8)
Er6^ii—Er3—Er5	128.46 (6)	B3—O12—Er2^i	134 (2)
Er6^vii—Er3—Er6^ii	118.98 (5)	B3—O12—Er5^xii	99.1 (19)
O10^ii—Er3—Er1^ii	37.6 (6)	B3—O12—Er6	98 (2)
O10^ii—Er3—Er5^ii	37.3 (5)	Er5—O11—Er4^v	92.8 (8)
O10^ii—Er3—Er5	99.7 (5)	B3—O11—Er5	147 (2)
O10^ii—Er3—Er6^ii	32.9 (5)	B3—O11—Er4^v	120 (2)
O10^ii—Er3—Er6^vii	151.0 (5)	Er6—O14—Er3^xiii	113.1 (10)
O10^ii—Er3—O7	123.5 (8)	B2^xiii—O14—Er3^xiii	124 (2)
O10^ii—Er3—O3^viii	105.6 (8)	B2^xiii—O14—Er6	121 (2)
O10^ii—Er3—O3	77.3 (8)	Er4—O8—Er1^i	98.2 (8)
O4—Er3—Er1^ii	86.9 (6)	B2—O8—Er1^i	126 (2)
O4—Er3—Er5	88.3 (6)	B2—O8—Er4	114 (2)
O4—Er3—Er5^ii	36.7 (6)	Er3—O3—Er3^viii	109.2 (9)
O4—Er3—Er6^vii	126.3 (6)	Er3^viii—O3—Er6^ii	92.9 (7)
O4—Er3—Er6^ii	92.0 (6)	Er3—O3—Er6^ii	93.7 (8)
O4—Er3—O10^ii	74.0 (8)	B1—O3—Er3^viii	126.3 (19)
O4—Er3—O7	77.4 (8)	B1—O3—Er3	124.5 (19)
O4—Er3—O14^vii	93.4 (8)	B1—O3—Er6^ii	82 (2)
O4—Er3—O3^viii	162.8 (8)	Er3—O6—Er1^ii	98.5 (8)
O4—Er3—O3	92.6 (8)	B3^vi—O6—Er1^ii	130 (2)
O4—Er3—O6	119.5 (8)	B3^vi—O6—Er3	132 (2)
O7—Er3—Er1^ii	94.0 (6)	O12—B3—Er5^xii	55.0 (15)
O7—Er3—Er5	31.8 (6)	O12—B3—O11	119 (3)
O7—Er3—Er5^ii	101.5 (5)	O12—B3—O6^xii	119 (3)
O7—Er3—Er6^ii	156.3 (6)	O11—B3—Er5^xii	145 (2)
O7—Er3—Er6^vii	83.9 (6)	O11—B3—O6^xii	121 (3)
O7—Er3—O3^viii	115.0 (7)	O6^xii—B3—Er5^xii	73.2 (16)
O7—Er3—O3	151.7 (8)	Er4^iii—B1—Er6^ii	93.3 (12)
O14^vii—Er3—Er1^ii	172.6 (5)	O1^xv—B1—Er4^iii	59.0 (16)
O14^vii—Er3—Er5	108.0 (5)	O1^xv—B1—Er6^ii	50.6 (17)
O14^vii—Er3—Er5^ii	125.2 (5)	O1^xv—B1—O2	118 (3)
O14^vii—Er3—Er6^vii	33.2 (5)	O1^xv—B1—O3	117 (3)
O14^vii—Er3—Er6^ii	123.4 (5)	O2—B1—Er4^iii	61.8 (17)
O14^vii—Er3—O10^ii	149.3 (8)	O2—B1—Er6^ii	148 (2)
O14^vii—Er3—O7	78.8 (8)	O2—B1—O3	123 (3)
O14^vii—Er3—O3	75.4 (8)	O3—B1—Er4^iii	155 (3)
O14^vii—Er3—O3^viii	78.3 (8)	O3—B1—Er6^ii	71 (2)
O14^vii—Er3—O6	133.9 (8)	O13^i—B2—O8	119 (3)
O3—Er3—Er1^ii	112.0 (6)	O14^vii—B2—O13^i	122 (3)
O3^viii—Er3—Er1^ii	103.3 (6)	O14^vii—B2—O8	119 (3)

Symmetry codes: (i) −x, −y, −z+2; (ii) −x+1, −y, −z+2; (iii) −x+1/2, y+1/2, −z+5/2; (iv) −x+1/2, y+1/2, −z+3/2; (v) x+1/2, −y−1/2, z−1/2; (vi) x+1/2, −y−1/2, z+1/2; (vii) x, y, z+1; (viii) −x+1, −y, −z+3; (ix) −x+1/2, y−1/2, −z+5/2; (x) x−1/2, −y−1/2, z+1/2; (xi) −x+1/2, y−1/2, −z+3/2; (xii) x−1/2, −y−1/2, z−1/2; (xiii) x, y, z−1; (xiv) x−1/2, −y+1/2, z−1/2; (xv) x+1/2, −y+1/2, z+1/2.