An investigation of polyhedral deformation in two mixed-metal diarsenates: SrZnAs₂O₇ and BaCuAs₂O₇

Two isostructural diarsenates, SrZnAs₂O₇ (strontium zinc diarsenate), (I), and BaCuAs₂O₇ [barium copper(II) diarsenate], (II), have been synthesized under hydro­thermal conditions and characterized by single-crystal X-ray diffraction. The three-dimensional open-framework crystal structure consists of corner-sharing M2O₅ (M2 = Zn or Cu) square pyramids and diarsenate (As₂O₇) groups. Each As₂O₇ group shares its five corners with five different M2O₅ square pyramids. The resulting framework delimits two types of tunnels aligned parallel to the [010] and [100] directions where the large divalent nine-coordinated M1 (M1 = Sr or Ba) cations are located. The geometrical characteristics of the M1O₉, M2O₅ and As₂O₇ groups of known isostructural diarsenates, adopting the general formula M1^IIM2^IIAs₂O₇ (M1^II = Sr, Ba, Pb; M2^II = Mg, Co, Cu, Zn) and crystallizing in the space group P2₁/n, are presented and discussed.

Computing details

For both compounds, data collection: COLLECT (Nonius, 2002); cell refinement: SCALEPACK (Otwinowski & Minor, 1997); data reduction: DENZO-SMN (Otwinowski et al., 2003); program(s) used to solve structure: SIR97 (Altomare et al., 1999). Program(s) used to refine structure: SHELXL2013 (Sheldrick, 2015), WinGX (Farrugia, 2012) and PLATON (Spek, 2009) for SrZnAs2O7; SHELXL2013 (Sheldrick, 2015) and WinGX (Farrugia, 2012) for BaCuAs2O7. For both compounds, molecular graphics: ATOMS (Dowty, 2000); software used to prepare material for publication: publCIF (Westrip, 2010).

(SrZnAs2O7) Strontium zinc diarsenic heptaoxide

Crystal data

SrZnAs2O7	Z = 4
Mr = 414.85	F(000) = 760
Monoclinic, P21/n	Dx = 4.568 Mg m^−3
a = 5.5114 (11) Å	Mo Kα radiation, λ = 0.71073 Å
b = 8.3524 (17) Å	µ = 23.69 mm^−1
c = 13.106 (3) Å	T = 298 K
β = 91.01 (3)°	Prismatic, blue-green
V = 603.2 (2) Å^3	0.16 × 0.03 × 0.02 mm

Data collection

Nonius KappaCCD diffractometer	1555 reflections with I > 2σ(I)
Radiation source: fine-focus sealed X-ray tube	Rint = 0.062
φ and ω scans	θmax = 30.5°, θmin = 2.9°
Absorption correction: multi-scan (Otwinowski & Minor, 1997)	h = −7→7
Tmin = 0.668, Tmax = 1.000	k = −11→11
7055 measured reflections	l = −18→18
1835 independent reflections

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	Primary atom site location: structure-invariant direct methods
R[F^2 > 2σ(F^2)] = 0.032	Secondary atom site location: difference Fourier map
wR(F^2) = 0.074	w = 1/[σ^2(Fo^2) + (0.0401P)^2 + 1.0702P] where P = (Fo^2 + 2Fc^2)/3
S = 1.04	(Δ/σ)max < 0.001
1834 reflections	Δρmax = 1.35 e Å^−3
100 parameters	Δρmin = −1.20 e Å^−3

Special details

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

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

	x	y	z	Uiso*/Ueq
Sr1	0.20949 (7)	0.67034 (5)	0.21859 (3)	0.01119 (11)
As1	−0.24486 (7)	0.47658 (5)	0.33857 (3)	0.00824 (11)
As2	0.67278 (7)	0.69498 (5)	0.01457 (3)	0.00820 (11)
Zn1	0.83776 (9)	0.35654 (6)	0.10963 (4)	0.01061 (12)
O1	0.9575 (5)	0.3826 (4)	0.2663 (2)	0.0117 (6)
O2	0.4720 (5)	0.4537 (4)	0.2972 (3)	0.0153 (7)
O3	0.6522 (6)	0.1665 (4)	0.1521 (3)	0.0124 (6)
O4	−0.2204 (6)	0.3987 (4)	0.4618 (2)	0.0132 (6)
O5	1.1990 (5)	0.3270 (4)	0.0989 (2)	0.0119 (6)
O6	0.8294 (5)	0.5986 (4)	0.1072 (2)	0.0128 (6)
O7	0.6245 (5)	0.3445 (4)	−0.0251 (2)	0.0112 (6)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Sr1	0.00753 (19)	0.0120 (2)	0.0140 (2)	−0.00041 (14)	−0.00140 (15)	0.00130 (15)
As1	0.00647 (19)	0.0078 (2)	0.0104 (2)	0.00031 (14)	−0.00097 (15)	−0.00028 (15)
As2	0.0062 (2)	0.0096 (2)	0.0088 (2)	0.00015 (14)	−0.00062 (15)	−0.00011 (15)
Zn1	0.0082 (2)	0.0101 (2)	0.0134 (3)	−0.00048 (18)	−0.00143 (18)	0.00016 (19)
O1	0.0082 (14)	0.0150 (15)	0.0118 (15)	0.0032 (11)	0.0010 (12)	−0.0016 (12)
O2	0.0066 (14)	0.0137 (16)	0.0253 (19)	−0.0001 (11)	−0.0055 (13)	−0.0007 (13)
O3	0.0118 (15)	0.0063 (14)	0.0189 (16)	0.0007 (11)	0.0004 (12)	0.0015 (12)
O4	0.0183 (15)	0.0094 (15)	0.0118 (15)	0.0033 (12)	−0.0005 (12)	0.0006 (12)
O5	0.0077 (14)	0.0174 (16)	0.0106 (15)	0.0000 (11)	0.0002 (11)	−0.0002 (12)
O6	0.0117 (15)	0.0104 (15)	0.0161 (16)	0.0004 (11)	−0.0053 (12)	0.0015 (12)
O7	0.0044 (13)	0.0157 (16)	0.0136 (15)	−0.0011 (11)	−0.0001 (11)	0.0015 (13)

Geometric parameters (Å, º)

Sr1—O2	2.525 (3)	Zn1—O3	1.973 (3)
Sr1—O1^i	2.557 (3)	Zn1—O5	2.013 (3)
Sr1—O2^ii	2.576 (3)	Zn1—O6	2.023 (3)
Sr1—O6^iii	2.602 (3)	Zn1—O7	2.106 (3)
Sr1—O3^ii	2.640 (3)	Zn1—O1	2.157 (3)
Sr1—O7^iv	2.714 (3)	Zn1—Sr1^vii	3.6059 (9)
Sr1—O5^i	2.765 (3)	Zn1—Sr1^viii	3.6762 (11)
Sr1—O1^iii	2.851 (3)	O1—As1^vii	1.671 (3)
Sr1—O5^iii	3.268 (3)	O1—Sr1^viii	2.557 (3)
Sr1—As1	3.3913 (9)	O1—Sr1^vii	2.851 (3)
Sr1—Zn1^iii	3.6059 (9)	O2—As1^vii	1.654 (3)
Sr1—Zn1^i	3.6762 (11)	O2—Sr1^ix	2.576 (3)
As1—O2^iii	1.654 (3)	O3—As1^ix	1.670 (3)
As1—O3^ii	1.670 (3)	O3—Sr1^ix	2.640 (3)
As1—O1^iii	1.671 (3)	O4—As2^ix	1.749 (3)
As1—O4	1.744 (3)	O5—As2^vi	1.669 (3)
As1—Sr1^v	3.6869 (8)	O5—Sr1^viii	2.765 (3)
As1—Sr1^iii	3.7374 (10)	O5—Sr1^vii	3.268 (3)
As2—O5^vi	1.669 (3)	O6—Sr1^vii	2.602 (3)
As2—O7^iv	1.679 (3)	O7—As2^iv	1.679 (3)
As2—O6	1.682 (3)	O7—Sr1^iv	2.714 (3)
As2—O4^ii	1.749 (3)
O2—Sr1—O1^i	93.44 (10)	O2^iii—As1—Sr1	127.11 (12)
O2—Sr1—O2^ii	155.50 (7)	O3^ii—As1—Sr1	49.74 (11)
O1^i—Sr1—O2^ii	69.30 (10)	O1^iii—As1—Sr1	57.05 (11)
O2—Sr1—O6^iii	120.91 (10)	O4—As1—Sr1	124.17 (11)
O1^i—Sr1—O6^iii	140.59 (10)	O2^iii—As1—Sr1^v	37.37 (11)
O2^ii—Sr1—O6^iii	81.88 (10)	O3^ii—As1—Sr1^v	152.14 (11)
O2—Sr1—O3^ii	99.39 (10)	O1^iii—As1—Sr1^v	91.54 (11)
O1^i—Sr1—O3^ii	120.53 (10)	O4—As1—Sr1^v	88.37 (11)
O2^ii—Sr1—O3^ii	76.47 (10)	Sr1—As1—Sr1^v	138.830 (16)
O6^iii—Sr1—O3^ii	75.40 (10)	O2^iii—As1—Sr1^iii	33.36 (11)
O2—Sr1—O7^iv	98.52 (11)	O3^ii—As1—Sr1^iii	82.08 (11)
O1^i—Sr1—O7^iv	81.41 (10)	O1^iii—As1—Sr1^iii	120.33 (11)
O2^ii—Sr1—O7^iv	95.96 (10)	O4—As1—Sr1^iii	126.83 (11)
O6^iii—Sr1—O7^iv	75.32 (9)	Sr1—As1—Sr1^iii	101.16 (2)
O3^ii—Sr1—O7^iv	150.51 (10)	Sr1^v—As1—Sr1^iii	70.374 (18)
O2—Sr1—O5^i	83.80 (10)	O5^vi—As2—O7^iv	118.74 (15)
O1^i—Sr1—O5^i	59.01 (10)	O5^vi—As2—O6	111.75 (16)
O2^ii—Sr1—O5^i	72.49 (10)	O7^iv—As2—O6	109.62 (15)
O6^iii—Sr1—O5^i	136.65 (10)	O5^vi—As2—O4^ii	101.56 (15)
O3^ii—Sr1—O5^i	65.08 (9)	O7^iv—As2—O4^ii	108.69 (15)
O7^iv—Sr1—O5^i	140.40 (9)	O6—As2—O4^ii	105.33 (15)
O2—Sr1—O1^iii	65.43 (9)	O5^vi—As2—Sr1	159.71 (11)
O1^i—Sr1—O1^iii	156.84 (6)	O7^iv—As2—Sr1	41.43 (11)
O2^ii—Sr1—O1^iii	127.02 (9)	O6—As2—Sr1	78.79 (11)
O6^iii—Sr1—O1^iii	62.52 (9)	O4^ii—As2—Sr1	91.67 (11)
O3^ii—Sr1—O1^iii	58.16 (9)	O3—Zn1—O5	116.04 (13)
O7^iv—Sr1—O1^iii	109.88 (9)	O3—Zn1—O6	142.82 (13)
O5^i—Sr1—O1^iii	106.95 (9)	O5—Zn1—O6	98.26 (13)
O2—Sr1—O5^iii	64.66 (10)	O3—Zn1—O7	85.04 (13)
O1^i—Sr1—O5^iii	130.69 (9)	O5—Zn1—O7	118.29 (12)
O2^ii—Sr1—O5^iii	139.81 (9)	O6—Zn1—O7	91.26 (12)
O6^iii—Sr1—O5^iii	61.41 (9)	O3—Zn1—O1	87.94 (13)
O3^ii—Sr1—O5^iii	106.87 (9)	O5—Zn1—O1	78.02 (12)
O7^iv—Sr1—O5^iii	60.98 (9)	O6—Zn1—O1	85.46 (12)
O5^i—Sr1—O5^iii	146.28 (9)	O7—Zn1—O1	163.69 (12)
O1^iii—Sr1—O5^iii	50.28 (8)	O3—Zn1—Sr1^vii	140.05 (10)
O2—Sr1—As1	83.76 (7)	O5—Zn1—Sr1^vii	63.96 (9)
O1^i—Sr1—As1	146.09 (7)	O6—Zn1—Sr1^vii	44.96 (8)
O2^ii—Sr1—As1	100.76 (7)	O7—Zn1—Sr1^vii	132.18 (9)
O6^iii—Sr1—As1	63.68 (7)	O1—Zn1—Sr1^vii	52.23 (9)
O3^ii—Sr1—As1	28.87 (7)	O3—Zn1—Sr1^viii	80.60 (9)
O7^iv—Sr1—As1	132.48 (7)	O5—Zn1—Sr1^viii	47.89 (9)
O5^i—Sr1—As1	87.12 (7)	O6—Zn1—Sr1^viii	116.59 (9)
O1^iii—Sr1—As1	29.47 (6)	O7—Zn1—Sr1^viii	148.87 (9)
O5^iii—Sr1—As1	78.27 (6)	O1—Zn1—Sr1^viii	42.84 (8)
O2—Sr1—Zn1^iii	87.59 (8)	Sr1^vii—Zn1—Sr1^viii	71.96 (2)
O1^i—Sr1—Zn1^iii	159.49 (7)	As1^vii—O1—Zn1	113.01 (15)
O2^ii—Sr1—Zn1^iii	114.76 (7)	As1^vii—O1—Sr1^viii	140.09 (17)
O6^iii—Sr1—Zn1^iii	33.32 (7)	Zn1—O1—Sr1^viii	102.17 (12)
O3^ii—Sr1—Zn1^iii	79.36 (7)	As1^vii—O1—Sr1^vii	93.48 (13)
O7^iv—Sr1—Zn1^iii	78.19 (7)	Zn1—O1—Sr1^vii	91.04 (11)
O5^i—Sr1—Zn1^iii	141.29 (7)	Sr1^viii—O1—Sr1^vii	104.45 (10)
O1^iii—Sr1—Zn1^iii	36.73 (6)	As1^vii—O2—Sr1	125.53 (17)
O5^iii—Sr1—Zn1^iii	33.60 (5)	As1^vii—O2—Sr1^ix	119.69 (16)
As1—Sr1—Zn1^iii	54.392 (17)	Sr1—O2—Sr1^ix	114.01 (11)
O2—Sr1—Zn1^i	71.08 (8)	As1^ix—O3—Zn1	128.72 (18)
O1^i—Sr1—Zn1^i	34.99 (7)	As1^ix—O3—Sr1^ix	101.39 (14)
O2^ii—Sr1—Zn1^i	85.35 (7)	Zn1—O3—Sr1^ix	124.90 (14)
O6^iii—Sr1—Zn1^i	166.41 (7)	As1—O4—As2^ix	122.39 (18)
O3^ii—Sr1—Zn1^i	97.12 (7)	As2^vi—O5—Zn1	120.70 (17)
O7^iv—Sr1—Zn1^i	110.80 (7)	As2^vi—O5—Sr1^viii	130.19 (16)
O5^i—Sr1—Zn1^i	32.70 (6)	Zn1—O5—Sr1^viii	99.40 (12)
O1^iii—Sr1—Zn1^i	123.39 (6)	As2^vi—O5—Sr1^vii	121.35 (15)
O5^iii—Sr1—Zn1^i	132.15 (5)	Zn1—O5—Sr1^vii	82.44 (10)
As1—Sr1—Zn1^i	114.63 (2)	Sr1^viii—O5—Sr1^vii	89.94 (9)
Zn1^iii—Sr1—Zn1^i	157.632 (18)	As2—O6—Zn1	120.07 (17)
O2^iii—As1—O3^ii	114.79 (16)	As2—O6—Sr1^vii	133.84 (17)
O2^iii—As1—O1^iii	113.26 (16)	Zn1—O6—Sr1^vii	101.73 (12)
O3^ii—As1—O1^iii	106.36 (16)	As2^iv—O7—Zn1	118.14 (17)
O2^iii—As1—O4	108.51 (17)	As2^iv—O7—Sr1^iv	114.40 (15)
O3^ii—As1—O4	105.51 (16)	Zn1—O7—Sr1^iv	126.37 (12)
O1^iii—As1—O4	107.95 (15)

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

(BaCuAs2O7) Barium copper diarsenic heptaoxide

Crystal data

BaCuAs2O7	Z = 4
Mr = 462.72	F(000) = 828
Monoclinic, P21/n	Dx = 4.841 Mg m^−3
a = 5.7343 (11) Å	Mo Kα radiation, λ = 0.71073 Å
b = 8.4722 (17) Å	µ = 19.84 mm^−1
c = 13.071 (3) Å	T = 298 K
β = 91.12 (3)°	Prismatic, blue-green
V = 634.9 (2) Å^3	0.06 × 0.03 × 0.02 mm

Data collection

Nonius KappaCCD diffractometer	1232 reflections with I > 2σ(I)
Radiation source: fine-focus sealed X-ray tube	Rint = 0.025
φ and ω scans	θmax = 26.4°, θmin = 2.9°
Absorption correction: multi-scan (Otwinowski & Minor, 1997)	h = −7→7
Tmin = 0.807, Tmax = 1.000	k = −10→10
4991 measured reflections	l = −16→16
1298 independent reflections

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.0211P)^2 + 6.356P] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.025	(Δ/σ)max = 0.001
wR(F^2) = 0.059	Δρmax = 2.28 e Å^−3
S = 1.20	Δρmin = −0.72 e Å^−3
1297 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
101 parameters	Extinction coefficient: 0.0029 (2)

Special details

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

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

	x	y	z	Uiso*/Ueq
Ba1	0.21641 (6)	0.65177 (4)	0.21373 (3)	0.01078 (13)
As1	−0.25303 (10)	0.46629 (7)	0.34475 (4)	0.00811 (16)
As2	0.67164 (10)	0.68332 (7)	0.00787 (4)	0.00849 (16)
Cu1	0.78989 (13)	0.35893 (8)	0.11961 (6)	0.01007 (18)
O1	0.9278 (7)	0.3766 (5)	0.2630 (3)	0.0115 (8)
O2	0.4698 (7)	0.4399 (5)	0.3119 (4)	0.0170 (9)
O3	0.6632 (8)	0.1528 (5)	0.1488 (3)	0.0138 (9)
O4	−0.2048 (8)	0.3849 (5)	0.4659 (3)	0.0126 (9)
O5	1.2020 (8)	0.3402 (5)	0.1034 (3)	0.0142 (9)
O6	0.8041 (7)	0.5920 (5)	0.1077 (3)	0.0135 (9)
O7	0.6194 (7)	0.3516 (5)	−0.0132 (3)	0.0124 (9)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ba1	0.0117 (2)	0.00914 (19)	0.0115 (2)	−0.00027 (13)	−0.00038 (13)	0.00043 (13)
As1	0.0103 (3)	0.0060 (3)	0.0079 (3)	0.0003 (2)	−0.0006 (2)	−0.0002 (2)
As2	0.0104 (3)	0.0082 (3)	0.0069 (3)	−0.0001 (2)	0.0000 (2)	0.0000 (2)
Cu1	0.0144 (4)	0.0067 (4)	0.0090 (4)	−0.0007 (3)	−0.0022 (3)	0.0006 (3)
O1	0.012 (2)	0.011 (2)	0.011 (2)	0.0012 (15)	0.0017 (16)	−0.0003 (16)
O2	0.010 (2)	0.016 (2)	0.024 (2)	0.0012 (17)	−0.0035 (18)	0.0004 (19)
O3	0.019 (2)	0.007 (2)	0.016 (2)	0.0013 (17)	0.0022 (18)	0.0016 (17)
O4	0.022 (2)	0.0067 (19)	0.009 (2)	0.0017 (17)	−0.0015 (17)	0.0017 (16)
O5	0.016 (2)	0.014 (2)	0.013 (2)	0.0026 (17)	0.0058 (17)	0.0006 (17)
O6	0.016 (2)	0.009 (2)	0.015 (2)	−0.0005 (16)	−0.0050 (17)	−0.0001 (17)
O7	0.010 (2)	0.015 (2)	0.012 (2)	−0.0029 (16)	−0.0003 (17)	0.0005 (16)

Geometric parameters (Å, º)

Ba1—O2	2.628 (4)	Cu1—O3	1.932 (4)
Ba1—O2^i	2.683 (5)	Cu1—O7	1.976 (4)
Ba1—O6^ii	2.764 (4)	Cu1—O6	1.983 (4)
Ba1—O7^iii	2.803 (4)	Cu1—O1	2.025 (4)
Ba1—O1^iv	2.803 (4)	Cu1—O5	2.382 (4)
Ba1—O3^i	2.850 (4)	Cu1—Ba1^vii	3.6787 (10)
Ba1—O5^iv	2.904 (4)	Cu1—Ba1^viii	3.9494 (12)
Ba1—O1^ii	2.938 (4)	O1—As1^vii	1.685 (4)
Ba1—O5^ii	3.008 (4)	O1—Ba1^viii	2.803 (4)
Ba1—As1	3.5818 (10)	O1—Ba1^vii	2.938 (4)
Ba1—Cu1^ii	3.6787 (10)	O2—As1^vii	1.654 (4)
Ba1—As2	3.7950 (13)	O2—Ba1^ix	2.683 (5)
As1—O2^ii	1.654 (4)	O3—As1^ix	1.663 (4)
As1—O3^i	1.663 (4)	O3—Ba1^ix	2.850 (4)
As1—O1^ii	1.685 (4)	O4—As2^ix	1.752 (4)
As1—O4	1.744 (4)	O5—As2^vi	1.650 (4)
As1—Ba1^ii	3.8019 (11)	O5—Ba1^viii	2.904 (4)
As1—Ba1^v	3.8295 (9)	O5—Ba1^vii	3.008 (4)
As2—O5^vi	1.650 (4)	O6—Ba1^vii	2.764 (4)
As2—O6	1.685 (4)	O7—As2^iii	1.698 (4)
As2—O7^iii	1.698 (4)	O7—Ba1^iii	2.803 (4)
As2—O4^i	1.752 (4)
O2—Ba1—O2^i	153.81 (10)	O2^ii—As1—Ba1	131.49 (17)
O2—Ba1—O6^ii	125.38 (13)	O3^i—As1—Ba1	51.16 (15)
O2^i—Ba1—O6^ii	76.68 (13)	O1^ii—As1—Ba1	54.33 (15)
O2—Ba1—O7^iii	104.89 (14)	O4—As1—Ba1	120.01 (15)
O2^i—Ba1—O7^iii	91.88 (14)	O2^ii—As1—Ba1^ii	35.13 (16)
O6^ii—Ba1—O7^iii	80.15 (13)	O3^i—As1—Ba1^ii	82.79 (16)
O2—Ba1—O1^iv	90.97 (13)	O1^ii—As1—Ba1^ii	113.44 (15)
O2^i—Ba1—O1^iv	71.47 (13)	O4—As1—Ba1^ii	133.13 (14)
O6^ii—Ba1—O1^iv	142.42 (13)	Ba1—As1—Ba1^ii	101.86 (2)
O7^iii—Ba1—O1^iv	81.45 (12)	O2^ii—As1—Ba1^v	36.33 (16)
O2—Ba1—O3^i	96.66 (13)	O3^i—As1—Ba1^v	152.13 (16)
O2^i—Ba1—O3^i	76.64 (13)	O1^ii—As1—Ba1^v	89.59 (15)
O6^ii—Ba1—O3^i	70.14 (13)	O4—As1—Ba1^v	90.19 (15)
O7^iii—Ba1—O3^i	149.83 (13)	Ba1—As1—Ba1^v	137.295 (19)
O1^iv—Ba1—O3^i	119.53 (12)	Ba1^ii—As1—Ba1^v	69.617 (19)
O2—Ba1—O5^iv	83.98 (14)	O5^vi—As2—O6	115.4 (2)
O2^i—Ba1—O5^iv	70.11 (13)	O5^vi—As2—O7^iii	117.7 (2)
O6^ii—Ba1—O5^iv	129.47 (13)	O6—As2—O7^iii	108.5 (2)
O7^iii—Ba1—O5^iv	136.35 (12)	O5^vi—As2—O4^i	104.0 (2)
O1^iv—Ba1—O5^iv	55.40 (12)	O6—As2—O4^i	104.5 (2)
O3^i—Ba1—O5^iv	65.93 (12)	O7^iii—As2—O4^i	105.4 (2)
O2—Ba1—O1^ii	70.08 (13)	O5^vi—As2—Ba1	159.52 (16)
O2^i—Ba1—O1^ii	121.67 (12)	O6—As2—Ba1	74.00 (15)
O6^ii—Ba1—O1^ii	58.97 (12)	O7^iii—As2—Ba1	42.97 (15)
O7^iii—Ba1—O1^ii	113.44 (12)	O4^i—As2—Ba1	90.18 (14)
O1^iv—Ba1—O1^ii	158.02 (6)	O3—Cu1—O7	87.90 (19)
O3^i—Ba1—O1^ii	54.80 (12)	O3—Cu1—O6	158.73 (19)
O5^iv—Ba1—O1^ii	109.76 (12)	O7—Cu1—O6	89.01 (18)
O2—Ba1—O5^ii	69.15 (13)	O3—Cu1—O1	91.48 (18)
O2^i—Ba1—O5^ii	137.03 (13)	O7—Cu1—O1	172.97 (17)
O6^ii—Ba1—O5^ii	65.41 (12)	O6—Cu1—O1	89.03 (18)
O7^iii—Ba1—O5^ii	63.22 (12)	O3—Cu1—O5	109.54 (17)
O1^iv—Ba1—O5^ii	131.40 (12)	O7—Cu1—O5	113.23 (17)
O3^i—Ba1—O5^ii	106.90 (12)	O6—Cu1—O5	90.99 (17)
O5^iv—Ba1—O5^ii	151.54 (11)	O1—Cu1—O5	73.56 (16)
O1^ii—Ba1—O5^ii	53.01 (11)	O3—Cu1—Ba1^vii	142.53 (14)
O2—Ba1—As1	83.13 (10)	O7—Cu1—Ba1^vii	128.98 (13)
O2^i—Ba1—As1	99.08 (10)	O6—Cu1—Ba1^vii	47.66 (12)
O6^ii—Ba1—As1	61.04 (9)	O1—Cu1—Ba1^vii	52.83 (12)
O7^iii—Ba1—As1	135.40 (9)	O5—Cu1—Ba1^vii	54.59 (11)
O1^iv—Ba1—As1	142.98 (9)	O3—Cu1—Ba1^viii	75.98 (14)
O3^i—Ba1—As1	27.04 (8)	O7—Cu1—Ba1^viii	143.84 (13)
O5^iv—Ba1—As1	87.60 (9)	O6—Cu1—Ba1^viii	117.12 (13)
O1^ii—Ba1—As1	27.77 (8)	O1—Cu1—Ba1^viii	42.25 (12)
O5^ii—Ba1—As1	80.23 (8)	O5—Cu1—Ba1^viii	46.97 (11)
O2—Ba1—Cu1^ii	93.45 (10)	Ba1^vii—Cu1—Ba1^viii	69.55 (2)
O2^i—Ba1—Cu1^ii	108.16 (9)	As1^vii—O1—Cu1	112.7 (2)
O6^ii—Ba1—Cu1^ii	32.03 (9)	As1^vii—O1—Ba1^viii	133.9 (2)
O7^iii—Ba1—Cu1^ii	85.05 (9)	Cu1—O1—Ba1^viii	108.69 (17)
O1^iv—Ba1—Cu1^ii	166.46 (9)	As1^vii—O1—Ba1^vii	97.90 (18)
O3^i—Ba1—Cu1^ii	72.65 (9)	Cu1—O1—Ba1^vii	93.86 (15)
O5^iv—Ba1—Cu1^ii	137.83 (9)	Ba1^viii—O1—Ba1^vii	98.69 (13)
O1^ii—Ba1—Cu1^ii	33.32 (8)	As1^vii—O2—Ba1	123.6 (2)
O5^ii—Ba1—Cu1^ii	40.19 (8)	As1^vii—O2—Ba1^ix	122.2 (2)
As1—Ba1—Cu1^ii	50.434 (18)	Ba1—O2—Ba1^ix	110.24 (15)
O2—Ba1—As2	90.73 (10)	As1^ix—O3—Cu1	138.7 (3)
O2^i—Ba1—As2	97.19 (10)	As1^ix—O3—Ba1^ix	101.80 (18)
O6^ii—Ba1—As2	104.54 (9)	Cu1—O3—Ba1^ix	114.94 (18)
O7^iii—Ba1—As2	24.39 (9)	As1—O4—As2^ix	125.3 (2)
O1^iv—Ba1—As2	61.30 (9)	As2^vi—O5—Cu1	122.7 (2)
O3^i—Ba1—As2	172.51 (9)	As2^vi—O5—Ba1^viii	126.4 (2)
O5^iv—Ba1—As2	116.28 (8)	Cu1—O5—Ba1^viii	96.18 (14)
O1^ii—Ba1—As2	127.56 (8)	As2^vi—O5—Ba1^vii	121.3 (2)
O5^ii—Ba1—As2	74.62 (8)	Cu1—O5—Ba1^vii	85.23 (12)
As1—Ba1—As2	154.659 (18)	Ba1^viii—O5—Ba1^vii	94.90 (13)
Cu1^ii—Ba1—As2	105.81 (2)	As2—O6—Cu1	120.0 (2)
O2^ii—As1—O3^i	115.9 (2)	As2—O6—Ba1^vii	132.3 (2)
O2^ii—As1—O1^ii	112.0 (2)	Cu1—O6—Ba1^vii	100.32 (17)
O3^i—As1—O1^ii	105.5 (2)	As2^iii—O7—Cu1	116.1 (2)
O2^ii—As1—O4	108.5 (2)	As2^iii—O7—Ba1^iii	112.6 (2)
O3^i—As1—O4	106.6 (2)	Cu1—O7—Ba1^iii	130.72 (19)
O1^ii—As1—O4	108.0 (2)

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