Effect of Al and Ca co-doping, in the presence of Te, in superconducting YBCO whiskers growth

High-T_c superconducting cuprates (HTSC) such as YBa₂Cu₃O_7 − x (YBCO) are promising candidates for solid-state THz applications based on stacks of intrinsic Josephson junctions (IJJs) with atomic thickness. In view of future exploitation of IJJs, high-quality superconducting YBCO tape-like single crystals (whiskers) have been synthesized from Ca–Al-doped precursors in the presence of Te. The main aim of this paper is to determine the importance of the simultaneous use of Al, Te and Ca in promoting YBCO whiskers growth with good superconducting properties (T_c = 79–84 K). Further, single-crystal X-ray diffraction (SC-XRD) refinements of tetragonal YBCO whiskers (P4/mmm) are reported to fill the literature lack of YBCO structure investigations. All the as-grown whiskers have also been investigated by means of X-ray powder diffraction (XRPD), scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDS). Our results demonstrate that the interplay of Ca, Te and Al elements is clearly necessary in order to obtain superconducting YBCO whiskers. The data obtained from SC-XRD analyses confirm the highly crystalline nature of the whiskers grown. Ca and Al enter the structure by replacing the Y and the octahedral coordinated Cu1 site, respectively, as in other similar orthorhombic compounds, while Te does not enter the structure of whiskers but its presence in the precursor is essential to the growth of the crystals.

Computing details

For both compounds, data collection: CrysAlis PRO, Agilent Technologies, Version 1.171.36.28; cell refinement: CrysAlis PRO, Agilent Technologies, Version 1.171.36.28; data reduction: CrysAlis PRO, Agilent Technologies, Version 1.171.36.28; program(s) used to solve structure: Jana2006, Version 28/04/2014; program(s) used to refine structure: Jana2006, Version 28/04/2014.

(crystal_a1)

Crystal data

Al0.16Ba2Ca0.05Cu2.84O6.75Y0.95	Dx = 6.257 Mg m^−3
Mr = 654.01	Mo Kα radiation, λ = 0.7107 Å
Tetragonal, P4/mmm	Cell parameters from 2154 reflections
Hall symbol: -P 4 2	θ = 3.5–28.8°
a = 3.8551 (3) Å	µ = 27.61 mm^−1
c = 11.6782 (8) Å	T = 293 K
V = 173.56 (3) Å^3	Micro-tape, metallic dark grey
Z = 1	0.29 × 0.02 × 0.01 mm
F(000) = 288.5

Data collection

Xcalibur, Ruby, Gemini ultra diffractometer	186 independent reflections
Radiation source: Enhance (Mo) X-ray Source	174 reflections with I > 3σ(I)
Graphite monochromator	Rint = 0.038
Detector resolution: 10.2890 pixels mm^-1	θmax = 29.1°, θmin = 3.5°
ω scans	h = −5→5
Absorption correction: integration CrysAlisPro, Agilent Technologies, Version 1.171.36.28, Numerical absorption correction based on gaussian integration over a multifaceted crystal model	k = −5→4
Tmin = 0.197, Tmax = 0.811	l = −15→15
3779 measured reflections

Refinement

Refinement on F	0 constraints
R[F^2 > 2σ(F^2)] = 0.021	Weighting scheme based on measured s.u.'s w = 1/(σ^2(F) + 0.0004F^2)
wR(F^2) = 0.038	(Δ/σ)max = 0.008
S = 1.52	Δρmax = 1.32 e Å^−3
174 reflections	Δρmin = −1.45 e Å^−3
20 parameters	Extinction correction: B-C type 1 Lorentzian isotropic (Becker & Coppens, 1974)
0 restraints	Extinction coefficient: 33.33

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
Y1	0.5	0.5	0.5	0.0065 (4)	0.948 (16)
Ba1	0.5	0.5	0.18663 (6)	0.0111 (3)
Cu1	0	0	0	0.0110 (6)	0.844 (16)
Cu2	0	0	0.35708 (13)	0.0056 (4)
O1	0	0	0.1558 (8)	0.025 (2)
O2	0.5	0	0.3770 (5)	0.0053 (11)*
O3	0	0.5	0	0.018 (8)*	0.37 (3)
Ca1	0.5	0.5	0.5	0.0065 (4)	0.052 (16)
Al1	0	0	0	0.0110 (6)	0.156 (16)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Y1	0.0063 (7)	0.0063 (7)	0.0070 (9)	0	0	0
Ba1	0.0112 (4)	0.0112 (4)	0.0110 (5)	0	0	0
Cu1	0.0141 (10)	0.0141 (10)	0.0048 (13)	0	0	0
Cu2	0.0035 (5)	0.0035 (5)	0.0098 (8)	0	0	0
O1	0.030 (4)	0.030 (4)	0.014 (5)	0	0	0
Ca1	0.0063 (7)	0.0063 (7)	0.0070 (9)	0	0	0
Al1	0.0141 (10)	0.0141 (10)	0.0048 (13)	0	0	0

Geometric parameters (Å, º)

Y1—Ba1	3.6596 (5)	Ba1—O1^ii	2.7497 (3)
Y1—Ba1^i	3.6596 (5)	Ba1—O1^iii	2.7497 (3)
Y1—Cu2	3.1964 (3)	Ba1—O1^iv	2.7497 (3)
Y1—Cu2^ii	3.1964 (3)	Ba1—Ca1	3.6596 (5)
Y1—Cu2^iii	3.1964 (3)	Ba1—Al1	3.4902 (3)
Y1—Cu2^iv	3.1964 (3)	Ba1—Al1^ii	3.4902 (3)
Y1—Cu2^v	3.1964 (3)	Ba1—Al1^iii	3.4902 (3)
Y1—Cu2^vi	3.1964 (3)	Ba1—Al1^iv	3.4902 (3)
Y1—Cu2^i	3.1964 (3)	Cu1—O1	1.8188 (2)
Y1—Cu2^vii	3.1964 (3)	Cu1—O1^xi	1.8188 (2)
Y1—Ca1^viii	3.8551 (6)	Cu1—O3^ix	1.9275 (3)
Y1—Ca1^ix	3.8551 (6)	Cu1—O3	1.9275 (3)
Y1—Ca1	0	Cu1—O3^xii	1.9275 (3)
Y1—Ca1^ii	3.8551 (6)	Cu1—O3^xiii	1.9275 (3)
Y1—Ca1^iii	3.8551 (6)	Cu1—Al1	0
Ba1—Ba1^viii	3.8551 (6)	Cu2—O2^viii	1.9415 (3)
Ba1—Ba1^ix	3.8551 (6)	Cu2—O2	1.9415 (3)
Ba1—Ba1^ii	3.8551 (6)	Cu2—O2^xiv	1.9415 (3)
Ba1—Ba1^iii	3.8551 (6)	Cu2—O2^xii	1.9415 (3)
Ba1—Ba1^x	4.3591 (6)	Cu2—Ca1^xv	3.1964 (3)
Ba1—Cu1	3.4902 (3)	Cu2—Ca1^viii	3.1964 (3)
Ba1—Cu1^ii	3.4902 (3)	Cu2—Ca1^ix	3.1964 (3)
Ba1—Cu1^iii	3.4902 (3)	Cu2—Ca1	3.1964 (3)
Ba1—Cu1^iv	3.4902 (3)	O2—Ca1^ix	2.4040 (3)
Ba1—Cu2	3.3753 (3)	O2—Ca1	2.4040 (3)
Ba1—Cu2^ii	3.3753 (3)	Ca1—Ca1^viii	3.8551 (6)
Ba1—Cu2^iii	3.3753 (3)	Ca1—Ca1^ix	3.8551 (6)
Ba1—Cu2^iv	3.3753 (3)	Ca1—Ca1^ii	3.8551 (6)
Ba1—O1	2.7497 (3)	Ca1—Ca1^iii	3.8551 (6)
Ba1—Y1—Ba1^i	180.0 (5)	Y1^ix—Cu2—Ba1^viii	175.3418 (2)
Ba1—Y1—Cu2	58.521 (2)	Y1^ix—Cu2—Ba1^ix	67.615 (5)
Ba1—Y1—Cu2^ii	58.521 (2)	Y1^ix—Cu2—Ba1	107.935 (5)
Ba1—Y1—Cu2^iii	58.521 (2)	Y1^ix—Cu2—O2^viii	122.424 (3)
Ba1—Y1—Cu2^iv	58.521 (2)	Y1^ix—Cu2—O2	48.606 (2)
Ba1—Y1—Cu2^v	121.479 (2)	Y1^ix—Cu2—O2^xiv	48.606 (2)
Ba1—Y1—Cu2^vi	121.479 (2)	Y1^ix—Cu2—O2^xii	122.424 (3)
Ba1—Y1—Cu2^i	121.479 (2)	Y1^ix—Cu2—Ca1^xv	74.177 (5)
Ba1—Y1—Cu2^vii	121.479 (2)	Y1^ix—Cu2—Ca1^viii	117.043 (4)
Ba1—Y1—Ca1^viii	90	Y1^ix—Cu2—Ca1^ix	0.0 (5)
Ba1—Y1—Ca1^ix	90	Y1^ix—Cu2—Ca1	74.177 (5)
Ba1—Y1—Ca1	0	Y1—Cu2—Ba1^xv	175.3418 (2)
Ba1—Y1—Ca1^ii	90	Y1—Cu2—Ba1^viii	107.935 (5)
Ba1—Y1—Ca1^iii	90	Y1—Cu2—Ba1^ix	107.935 (5)
Ba1^i—Y1—Cu2	121.479 (2)	Y1—Cu2—Ba1	67.615 (5)
Ba1^i—Y1—Cu2^ii	121.479 (2)	Y1—Cu2—O2^viii	122.424 (3)
Ba1^i—Y1—Cu2^iii	121.479 (2)	Y1—Cu2—O2	48.606 (2)
Ba1^i—Y1—Cu2^iv	121.479 (2)	Y1—Cu2—O2^xiv	122.424 (3)
Ba1^i—Y1—Cu2^v	58.521 (2)	Y1—Cu2—O2^xii	48.606 (2)
Ba1^i—Y1—Cu2^vi	58.521 (2)	Y1—Cu2—Ca1^xv	117.043 (4)
Ba1^i—Y1—Cu2^i	58.521 (2)	Y1—Cu2—Ca1^viii	74.177 (5)
Ba1^i—Y1—Cu2^vii	58.521 (2)	Y1—Cu2—Ca1^ix	74.177 (5)
Ba1^i—Y1—Ca1^viii	90	Y1—Cu2—Ca1	0.0 (5)
Ba1^i—Y1—Ca1^ix	90	Ba1^xv—Cu2—Ba1^viii	69.649 (5)
Ba1^i—Y1—Ca1	0	Ba1^xv—Cu2—Ba1^ix	69.649 (5)
Ba1^i—Y1—Ca1^ii	90	Ba1^xv—Cu2—Ba1	107.726 (5)
Ba1^i—Y1—Ca1^iii	90	Ba1^xv—Cu2—O2^viii	60.241 (3)
Cu2—Y1—Cu2^ii	74.177 (5)	Ba1^xv—Cu2—O2	129.611 (2)
Cu2—Y1—Cu2^iii	74.177 (5)	Ba1^xv—Cu2—O2^xiv	60.241 (3)
Cu2—Y1—Cu2^iv	117.043 (4)	Ba1^xv—Cu2—O2^xii	129.611 (2)
Cu2—Y1—Cu2^v	62.957 (4)	Ba1^xv—Cu2—Ca1^xv	67.615 (5)
Cu2—Y1—Cu2^vi	105.823 (5)	Ba1^xv—Cu2—Ca1^viii	107.935 (5)
Cu2—Y1—Cu2^i	105.823 (5)	Ba1^xv—Cu2—Ca1^ix	107.935 (5)
Cu2—Y1—Cu2^vii	180.0 (5)	Ba1^xv—Cu2—Ca1	175.3418 (2)
Cu2—Y1—Ca1^viii	52.912 (3)	Ba1^viii—Cu2—Ba1^ix	107.726 (5)
Cu2—Y1—Ca1^ix	52.912 (3)	Ba1^viii—Cu2—Ba1	69.649 (5)
Cu2—Y1—Ca1	0	Ba1^viii—Cu2—O2^viii	60.241 (3)
Cu2—Y1—Ca1^ii	127.088 (3)	Ba1^viii—Cu2—O2	129.611 (2)
Cu2—Y1—Ca1^iii	127.088 (3)	Ba1^viii—Cu2—O2^xiv	129.611 (2)
Cu2^ii—Y1—Cu2^iii	117.043 (4)	Ba1^viii—Cu2—O2^xii	60.241 (3)
Cu2^ii—Y1—Cu2^iv	74.177 (5)	Ba1^viii—Cu2—Ca1^xv	107.935 (5)
Cu2^ii—Y1—Cu2^v	105.823 (5)	Ba1^viii—Cu2—Ca1^viii	67.615 (5)
Cu2^ii—Y1—Cu2^vi	62.957 (4)	Ba1^viii—Cu2—Ca1^ix	175.3418 (2)
Cu2^ii—Y1—Cu2^i	180.0 (5)	Ba1^viii—Cu2—Ca1	107.935 (5)
Cu2^ii—Y1—Cu2^vii	105.823 (5)	Ba1^ix—Cu2—Ba1	69.649 (5)
Cu2^ii—Y1—Ca1^viii	52.912 (3)	Ba1^ix—Cu2—O2^viii	129.611 (2)
Cu2^ii—Y1—Ca1^ix	127.088 (3)	Ba1^ix—Cu2—O2	60.241 (3)
Cu2^ii—Y1—Ca1	0	Ba1^ix—Cu2—O2^xiv	60.241 (3)
Cu2^ii—Y1—Ca1^ii	52.912 (3)	Ba1^ix—Cu2—O2^xii	129.611 (2)
Cu2^ii—Y1—Ca1^iii	127.088 (3)	Ba1^ix—Cu2—Ca1^xv	107.935 (5)
Cu2^iii—Y1—Cu2^iv	74.177 (5)	Ba1^ix—Cu2—Ca1^viii	175.3418 (2)
Cu2^iii—Y1—Cu2^v	105.823 (5)	Ba1^ix—Cu2—Ca1^ix	67.615 (5)
Cu2^iii—Y1—Cu2^vi	180.0 (5)	Ba1^ix—Cu2—Ca1	107.935 (5)
Cu2^iii—Y1—Cu2^i	62.957 (4)	Ba1—Cu2—O2^viii	129.611 (2)
Cu2^iii—Y1—Cu2^vii	105.823 (5)	Ba1—Cu2—O2	60.241 (3)
Cu2^iii—Y1—Ca1^viii	127.088 (3)	Ba1—Cu2—O2^xiv	129.611 (2)
Cu2^iii—Y1—Ca1^ix	52.912 (3)	Ba1—Cu2—O2^xii	60.241 (3)
Cu2^iii—Y1—Ca1	0	Ba1—Cu2—Ca1^xv	175.3418 (2)
Cu2^iii—Y1—Ca1^ii	127.088 (3)	Ba1—Cu2—Ca1^viii	107.935 (5)
Cu2^iii—Y1—Ca1^iii	52.912 (3)	Ba1—Cu2—Ca1^ix	107.935 (5)
Cu2^iv—Y1—Cu2^v	180.0 (5)	Ba1—Cu2—Ca1	67.615 (5)
Cu2^iv—Y1—Cu2^vi	105.823 (5)	O2^viii—Cu2—O2	166.2458 (14)
Cu2^iv—Y1—Cu2^i	105.823 (5)	O2^viii—Cu2—O2^xiv	89.1785 (1)
Cu2^iv—Y1—Cu2^vii	62.957 (4)	O2^viii—Cu2—O2^xii	89.1785 (1)
Cu2^iv—Y1—Ca1^viii	127.088 (3)	O2^viii—Cu2—Ca1^xv	48.606 (2)
Cu2^iv—Y1—Ca1^ix	127.088 (3)	O2^viii—Cu2—Ca1^viii	48.606 (2)
Cu2^iv—Y1—Ca1	0	O2^viii—Cu2—Ca1^ix	122.424 (3)
Cu2^iv—Y1—Ca1^ii	52.912 (3)	O2^viii—Cu2—Ca1	122.424 (3)
Cu2^iv—Y1—Ca1^iii	52.912 (3)	O2—Cu2—O2^xiv	89.1785 (1)
Cu2^v—Y1—Cu2^vi	74.177 (5)	O2—Cu2—O2^xii	89.1785 (1)
Cu2^v—Y1—Cu2^i	74.177 (5)	O2—Cu2—Ca1^xv	122.424 (3)
Cu2^v—Y1—Cu2^vii	117.043 (4)	O2—Cu2—Ca1^viii	122.424 (3)
Cu2^v—Y1—Ca1^viii	52.912 (3)	O2—Cu2—Ca1^ix	48.606 (2)
Cu2^v—Y1—Ca1^ix	52.912 (3)	O2—Cu2—Ca1	48.606 (2)
Cu2^v—Y1—Ca1	0	O2^xiv—Cu2—O2^xii	166.2458 (14)
Cu2^v—Y1—Ca1^ii	127.088 (3)	O2^xiv—Cu2—Ca1^xv	48.606 (2)
Cu2^v—Y1—Ca1^iii	127.088 (3)	O2^xiv—Cu2—Ca1^viii	122.424 (3)
Cu2^vi—Y1—Cu2^i	117.043 (4)	O2^xiv—Cu2—Ca1^ix	48.606 (2)
Cu2^vi—Y1—Cu2^vii	74.177 (5)	O2^xiv—Cu2—Ca1	122.424 (3)
Cu2^vi—Y1—Ca1^viii	52.912 (3)	O2^xii—Cu2—Ca1^xv	122.424 (3)
Cu2^vi—Y1—Ca1^ix	127.088 (3)	O2^xii—Cu2—Ca1^viii	48.606 (2)
Cu2^vi—Y1—Ca1	0	O2^xii—Cu2—Ca1^ix	122.424 (3)
Cu2^vi—Y1—Ca1^ii	52.912 (3)	O2^xii—Cu2—Ca1	48.606 (2)
Cu2^vi—Y1—Ca1^iii	127.088 (3)	Ca1^xv—Cu2—Ca1^viii	74.177 (5)
Cu2^i—Y1—Cu2^vii	74.177 (5)	Ca1^xv—Cu2—Ca1^ix	74.177 (5)
Cu2^i—Y1—Ca1^viii	127.088 (3)	Ca1^xv—Cu2—Ca1	117.043 (4)
Cu2^i—Y1—Ca1^ix	52.912 (3)	Ca1^viii—Cu2—Ca1^ix	117.043 (4)
Cu2^i—Y1—Ca1	0	Ca1^viii—Cu2—Ca1	74.177 (5)
Cu2^i—Y1—Ca1^ii	127.088 (3)	Ca1^ix—Cu2—Ca1	74.177 (5)
Cu2^i—Y1—Ca1^iii	52.912 (3)	Ba1^xv—O1—Ba1^viii	89.014 (6)
Cu2^vii—Y1—Ca1^viii	127.088 (3)	Ba1^xv—O1—Ba1^ix	89.014 (6)
Cu2^vii—Y1—Ca1^ix	127.088 (3)	Ba1^xv—O1—Ba1	164.9246 (13)
Cu2^vii—Y1—Ca1	0	Ba1^xv—O1—Cu1	97.5377 (7)
Cu2^vii—Y1—Ca1^ii	52.912 (3)	Ba1^viii—O1—Ba1^ix	164.9246 (13)
Cu2^vii—Y1—Ca1^iii	52.912 (3)	Ba1^viii—O1—Ba1	89.014 (6)
Ca1^viii—Y1—Ca1^ix	90	Ba1^viii—O1—Cu1	97.5377 (7)
Ca1^viii—Y1—Ca1	0	Ba1^ix—O1—Ba1	89.014 (6)
Ca1^viii—Y1—Ca1^ii	90	Ba1^ix—O1—Cu1	97.5377 (7)
Ca1^viii—Y1—Ca1^iii	180.0 (5)	Ba1—O1—Cu1	97.5377 (7)
Ca1^ix—Y1—Ca1	0	Cu2—O2—Cu2^iii	166.2458 (14)
Ca1^ix—Y1—Ca1^ii	180.0 (5)	Cu2—O2—Ca1^ix	94.1033 (6)
Ca1^ix—Y1—Ca1^iii	90	Cu2—O2—Ca1	94.1033 (6)
Ca1—Y1—Ca1^ii	0	Cu2^iii—O2—Ca1^ix	94.1033 (6)
Ca1—Y1—Ca1^iii	0	Cu2^iii—O2—Ca1	94.1033 (6)
Ca1^ii—Y1—Ca1^iii	90	Ca1^ix—O2—Ca1	106.606 (6)
Y1—Ba1—Ba1^viii	90	Cu1—O3—Cu1^ii	180.0 (5)
Y1—Ba1—Ba1^ix	90	Y1^viii—Ca1—Y1^ix	90
Y1—Ba1—Ba1^ii	90	Y1^viii—Ca1—Y1	0
Y1—Ba1—Ba1^iii	90	Y1^viii—Ca1—Y1^ii	90
Y1—Ba1—Ba1^x	180.0 (5)	Y1^viii—Ca1—Y1^iii	180.0 (5)
Y1—Ba1—Cu1	128.644 (2)	Y1^viii—Ca1—Ba1	90
Y1—Ba1—Cu1^ii	128.644 (2)	Y1^viii—Ca1—Ba1^i	90
Y1—Ba1—Cu1^iii	128.644 (2)	Y1^viii—Ca1—Cu2	52.912 (3)
Y1—Ba1—Cu1^iv	128.644 (2)	Y1^viii—Ca1—Cu2^ii	52.912 (3)
Y1—Ba1—Cu2	53.863 (2)	Y1^viii—Ca1—Cu2^iii	127.088 (3)
Y1—Ba1—Cu2^ii	53.863 (2)	Y1^viii—Ca1—Cu2^iv	127.088 (3)
Y1—Ba1—Cu2^iii	53.863 (2)	Y1^viii—Ca1—Cu2^v	52.912 (3)
Y1—Ba1—Cu2^iv	53.863 (2)	Y1^viii—Ca1—Cu2^vi	52.912 (3)
Y1—Ba1—O1	97.5377 (7)	Y1^viii—Ca1—Cu2^i	127.088 (3)
Y1—Ba1—O1^ii	97.5377 (7)	Y1^viii—Ca1—Cu2^vii	127.088 (3)
Y1—Ba1—O1^iii	97.5377 (7)	Y1^viii—Ca1—O2	90
Y1—Ba1—O1^iv	97.5377 (7)	Y1^viii—Ca1—O2^ii	90
Y1—Ba1—Ca1	0.0 (5)	Y1^viii—Ca1—O2^xii	36.697 (3)
Y1—Ba1—Al1	128.644 (2)	Y1^viii—Ca1—O2^xiii	143.303 (3)
Y1—Ba1—Al1^ii	128.644 (2)	Y1^viii—Ca1—O2^i	90
Y1—Ba1—Al1^iii	128.644 (2)	Y1^viii—Ca1—O2^vii	90
Y1—Ba1—Al1^iv	128.644 (2)	Y1^viii—Ca1—O2^xviii	36.697 (3)
Ba1^viii—Ba1—Ba1^ix	90	Y1^viii—Ca1—O2^xix	143.303 (3)
Ba1^viii—Ba1—Ba1^ii	90	Y1^viii—Ca1—Ca1^viii	0.0 (5)
Ba1^viii—Ba1—Ba1^iii	180.0 (5)	Y1^viii—Ca1—Ca1^ix	90
Ba1^viii—Ba1—Ba1^x	90	Y1^viii—Ca1—Ca1^ii	90
Ba1^viii—Ba1—Cu1	56.476 (2)	Y1^viii—Ca1—Ca1^iii	180.0 (5)
Ba1^viii—Ba1—Cu1^ii	56.476 (2)	Y1^ix—Ca1—Y1	0
Ba1^viii—Ba1—Cu1^iii	123.524 (2)	Y1^ix—Ca1—Y1^ii	180.0 (5)
Ba1^viii—Ba1—Cu1^iv	123.524 (2)	Y1^ix—Ca1—Y1^iii	90
Ba1^viii—Ba1—Cu2	55.175 (3)	Y1^ix—Ca1—Ba1	90
Ba1^viii—Ba1—Cu2^ii	55.175 (3)	Y1^ix—Ca1—Ba1^i	90
Ba1^viii—Ba1—Cu2^iii	124.825 (3)	Y1^ix—Ca1—Cu2	52.912 (3)
Ba1^viii—Ba1—Cu2^iv	124.825 (3)	Y1^ix—Ca1—Cu2^ii	127.088 (3)
Ba1^viii—Ba1—O1	45.493 (3)	Y1^ix—Ca1—Cu2^iii	52.912 (3)
Ba1^viii—Ba1—O1^ii	45.493 (3)	Y1^ix—Ca1—Cu2^iv	127.088 (3)
Ba1^viii—Ba1—O1^iii	134.507 (3)	Y1^ix—Ca1—Cu2^v	52.912 (3)
Ba1^viii—Ba1—O1^iv	134.507 (3)	Y1^ix—Ca1—Cu2^vi	127.088 (3)
Ba1^viii—Ba1—Ca1	90	Y1^ix—Ca1—Cu2^i	52.912 (3)
Ba1^viii—Ba1—Al1	56.476 (2)	Y1^ix—Ca1—Cu2^vii	127.088 (3)
Ba1^viii—Ba1—Al1^ii	56.476 (2)	Y1^ix—Ca1—O2	36.697 (3)
Ba1^viii—Ba1—Al1^iii	123.524 (2)	Y1^ix—Ca1—O2^ii	143.303 (3)
Ba1^viii—Ba1—Al1^iv	123.524 (2)	Y1^ix—Ca1—O2^xii	90
Ba1^ix—Ba1—Ba1^ii	180.0 (5)	Y1^ix—Ca1—O2^xiii	90
Ba1^ix—Ba1—Ba1^iii	90	Y1^ix—Ca1—O2^i	36.697 (3)
Ba1^ix—Ba1—Ba1^x	90	Y1^ix—Ca1—O2^vii	143.303 (3)
Ba1^ix—Ba1—Cu1	56.476 (2)	Y1^ix—Ca1—O2^xviii	90
Ba1^ix—Ba1—Cu1^ii	123.524 (2)	Y1^ix—Ca1—O2^xix	90
Ba1^ix—Ba1—Cu1^iii	56.476 (2)	Y1^ix—Ca1—Ca1^viii	90
Ba1^ix—Ba1—Cu1^iv	123.524 (2)	Y1^ix—Ca1—Ca1^ix	0.0 (5)
Ba1^ix—Ba1—Cu2	55.175 (3)	Y1^ix—Ca1—Ca1^ii	180.0 (5)
Ba1^ix—Ba1—Cu2^ii	124.825 (3)	Y1^ix—Ca1—Ca1^iii	90
Ba1^ix—Ba1—Cu2^iii	55.175 (3)	Y1—Ca1—Y1^ii	0
Ba1^ix—Ba1—Cu2^iv	124.825 (3)	Y1—Ca1—Y1^iii	0
Ba1^ix—Ba1—O1	45.493 (3)	Y1—Ca1—Ba1	0
Ba1^ix—Ba1—O1^ii	134.507 (3)	Y1—Ca1—Ba1^i	0
Ba1^ix—Ba1—O1^iii	45.493 (3)	Y1—Ca1—Cu2	0
Ba1^ix—Ba1—O1^iv	134.507 (3)	Y1—Ca1—Cu2^ii	0
Ba1^ix—Ba1—Ca1	90	Y1—Ca1—Cu2^iii	0
Ba1^ix—Ba1—Al1	56.476 (2)	Y1—Ca1—Cu2^iv	0
Ba1^ix—Ba1—Al1^ii	123.524 (2)	Y1—Ca1—Cu2^v	0
Ba1^ix—Ba1—Al1^iii	56.476 (2)	Y1—Ca1—Cu2^vi	0
Ba1^ix—Ba1—Al1^iv	123.524 (2)	Y1—Ca1—Cu2^i	0
Ba1^ii—Ba1—Ba1^iii	90	Y1—Ca1—Cu2^vii	0
Ba1^ii—Ba1—Ba1^x	90	Y1—Ca1—O2	0
Ba1^ii—Ba1—Cu1	123.524 (2)	Y1—Ca1—O2^ii	0
Ba1^ii—Ba1—Cu1^ii	56.476 (2)	Y1—Ca1—O2^xii	0
Ba1^ii—Ba1—Cu1^iii	123.524 (2)	Y1—Ca1—O2^xiii	0
Ba1^ii—Ba1—Cu1^iv	56.476 (2)	Y1—Ca1—O2^i	0
Ba1^ii—Ba1—Cu2	124.825 (3)	Y1—Ca1—O2^vii	0
Ba1^ii—Ba1—Cu2^ii	55.175 (3)	Y1—Ca1—O2^xviii	0
Ba1^ii—Ba1—Cu2^iii	124.825 (3)	Y1—Ca1—O2^xix	0
Ba1^ii—Ba1—Cu2^iv	55.175 (3)	Y1—Ca1—Ca1^viii	0
Ba1^ii—Ba1—O1	134.507 (3)	Y1—Ca1—Ca1^ix	0
Ba1^ii—Ba1—O1^ii	45.493 (3)	Y1—Ca1—Ca1^ii	0
Ba1^ii—Ba1—O1^iii	134.507 (3)	Y1—Ca1—Ca1^iii	0
Ba1^ii—Ba1—O1^iv	45.493 (3)	Y1^ii—Ca1—Y1^iii	90
Ba1^ii—Ba1—Ca1	90	Y1^ii—Ca1—Ba1	90
Ba1^ii—Ba1—Al1	123.524 (2)	Y1^ii—Ca1—Ba1^i	90
Ba1^ii—Ba1—Al1^ii	56.476 (2)	Y1^ii—Ca1—Cu2	127.088 (3)
Ba1^ii—Ba1—Al1^iii	123.524 (2)	Y1^ii—Ca1—Cu2^ii	52.912 (3)
Ba1^ii—Ba1—Al1^iv	56.476 (2)	Y1^ii—Ca1—Cu2^iii	127.088 (3)
Ba1^iii—Ba1—Ba1^x	90	Y1^ii—Ca1—Cu2^iv	52.912 (3)
Ba1^iii—Ba1—Cu1	123.524 (2)	Y1^ii—Ca1—Cu2^v	127.088 (3)
Ba1^iii—Ba1—Cu1^ii	123.524 (2)	Y1^ii—Ca1—Cu2^vi	52.912 (3)
Ba1^iii—Ba1—Cu1^iii	56.476 (2)	Y1^ii—Ca1—Cu2^i	127.088 (3)
Ba1^iii—Ba1—Cu1^iv	56.476 (2)	Y1^ii—Ca1—Cu2^vii	52.912 (3)
Ba1^iii—Ba1—Cu2	124.825 (3)	Y1^ii—Ca1—O2	143.303 (3)
Ba1^iii—Ba1—Cu2^ii	124.825 (3)	Y1^ii—Ca1—O2^ii	36.697 (3)
Ba1^iii—Ba1—Cu2^iii	55.175 (3)	Y1^ii—Ca1—O2^xii	90
Ba1^iii—Ba1—Cu2^iv	55.175 (3)	Y1^ii—Ca1—O2^xiii	90
Ba1^iii—Ba1—O1	134.507 (3)	Y1^ii—Ca1—O2^i	143.303 (3)
Ba1^iii—Ba1—O1^ii	134.507 (3)	Y1^ii—Ca1—O2^vii	36.697 (3)
Ba1^iii—Ba1—O1^iii	45.493 (3)	Y1^ii—Ca1—O2^xviii	90
Ba1^iii—Ba1—O1^iv	45.493 (3)	Y1^ii—Ca1—O2^xix	90
Ba1^iii—Ba1—Ca1	90	Y1^ii—Ca1—Ca1^viii	90
Ba1^iii—Ba1—Al1	123.524 (2)	Y1^ii—Ca1—Ca1^ix	180.0 (5)
Ba1^iii—Ba1—Al1^ii	123.524 (2)	Y1^ii—Ca1—Ca1^ii	0.0 (5)
Ba1^iii—Ba1—Al1^iii	56.476 (2)	Y1^ii—Ca1—Ca1^iii	90
Ba1^iii—Ba1—Al1^iv	56.476 (2)	Y1^iii—Ca1—Ba1	90
Ba1^x—Ba1—Cu1	51.356 (2)	Y1^iii—Ca1—Ba1^i	90
Ba1^x—Ba1—Cu1^ii	51.356 (2)	Y1^iii—Ca1—Cu2	127.088 (3)
Ba1^x—Ba1—Cu1^iii	51.356 (2)	Y1^iii—Ca1—Cu2^ii	127.088 (3)
Ba1^x—Ba1—Cu1^iv	51.356 (2)	Y1^iii—Ca1—Cu2^iii	52.912 (3)
Ba1^x—Ba1—Cu2	126.137 (2)	Y1^iii—Ca1—Cu2^iv	52.912 (3)
Ba1^x—Ba1—Cu2^ii	126.137 (2)	Y1^iii—Ca1—Cu2^v	127.088 (3)
Ba1^x—Ba1—Cu2^iii	126.137 (2)	Y1^iii—Ca1—Cu2^vi	127.088 (3)
Ba1^x—Ba1—Cu2^iv	126.137 (2)	Y1^iii—Ca1—Cu2^i	52.912 (3)
Ba1^x—Ba1—O1	82.4623 (7)	Y1^iii—Ca1—Cu2^vii	52.912 (3)
Ba1^x—Ba1—O1^ii	82.4623 (7)	Y1^iii—Ca1—O2	90
Ba1^x—Ba1—O1^iii	82.4623 (7)	Y1^iii—Ca1—O2^ii	90
Ba1^x—Ba1—O1^iv	82.4623 (7)	Y1^iii—Ca1—O2^xii	143.303 (3)
Ba1^x—Ba1—Ca1	180.0 (5)	Y1^iii—Ca1—O2^xiii	36.697 (3)
Ba1^x—Ba1—Al1	51.356 (2)	Y1^iii—Ca1—O2^i	90
Ba1^x—Ba1—Al1^ii	51.356 (2)	Y1^iii—Ca1—O2^vii	90
Ba1^x—Ba1—Al1^iii	51.356 (2)	Y1^iii—Ca1—O2^xviii	143.303 (3)
Ba1^x—Ba1—Al1^iv	51.356 (2)	Y1^iii—Ca1—O2^xix	36.697 (3)
Cu1—Ba1—Cu1^ii	67.047 (5)	Y1^iii—Ca1—Ca1^viii	180.0 (5)
Cu1—Ba1—Cu1^iii	67.047 (5)	Y1^iii—Ca1—Ca1^ix	90
Cu1—Ba1—Cu1^iv	102.712 (5)	Y1^iii—Ca1—Ca1^ii	90
Cu1—Ba1—Cu2	74.781 (5)	Y1^iii—Ca1—Ca1^iii	0.0 (5)
Cu1—Ba1—Cu2^ii	111.609 (5)	Ba1—Ca1—Ba1^i	180.0 (5)
Cu1—Ba1—Cu2^iii	111.609 (5)	Ba1—Ca1—Cu2	58.521 (2)
Cu1—Ba1—Cu2^iv	177.49	Ba1—Ca1—Cu2^ii	58.521 (2)
Cu1—Ba1—O1	31.1063 (18)	Ba1—Ca1—Cu2^iii	58.521 (2)
Cu1—Ba1—O1^ii	85.301 (5)	Ba1—Ca1—Cu2^iv	58.521 (2)
Cu1—Ba1—O1^iii	85.301 (5)	Ba1—Ca1—Cu2^v	121.479 (2)
Cu1—Ba1—O1^iv	133.818 (3)	Ba1—Ca1—Cu2^vi	121.479 (2)
Cu1—Ba1—Ca1	128.644 (2)	Ba1—Ca1—Cu2^i	121.479 (2)
Cu1—Ba1—Al1	0.0 (5)	Ba1—Ca1—Cu2^vii	121.479 (2)
Cu1—Ba1—Al1^ii	67.047 (5)	Ba1—Ca1—O2	53.303 (3)
Cu1—Ba1—Al1^iii	67.047 (5)	Ba1—Ca1—O2^ii	53.303 (3)
Cu1—Ba1—Al1^iv	102.712 (5)	Ba1—Ca1—O2^xii	53.303 (3)
Cu1^ii—Ba1—Cu1^iii	102.712 (5)	Ba1—Ca1—O2^xiii	53.303 (3)
Cu1^ii—Ba1—Cu1^iv	67.047 (5)	Ba1—Ca1—O2^i	126.697 (3)
Cu1^ii—Ba1—Cu2	111.609 (5)	Ba1—Ca1—O2^vii	126.697 (3)
Cu1^ii—Ba1—Cu2^ii	74.781 (5)	Ba1—Ca1—O2^xviii	126.697 (3)
Cu1^ii—Ba1—Cu2^iii	177.49	Ba1—Ca1—O2^xix	126.697 (3)
Cu1^ii—Ba1—Cu2^iv	111.609 (5)	Ba1—Ca1—Ca1^viii	90
Cu1^ii—Ba1—O1	85.301 (5)	Ba1—Ca1—Ca1^ix	90
Cu1^ii—Ba1—O1^ii	31.1063 (18)	Ba1—Ca1—Ca1^ii	90
Cu1^ii—Ba1—O1^iii	133.818 (3)	Ba1—Ca1—Ca1^iii	90
Cu1^ii—Ba1—O1^iv	85.301 (5)	Ba1^i—Ca1—Cu2	121.479 (2)
Cu1^ii—Ba1—Ca1	128.644 (2)	Ba1^i—Ca1—Cu2^ii	121.479 (2)
Cu1^ii—Ba1—Al1	67.047 (5)	Ba1^i—Ca1—Cu2^iii	121.479 (2)
Cu1^ii—Ba1—Al1^ii	0.0 (5)	Ba1^i—Ca1—Cu2^iv	121.479 (2)
Cu1^ii—Ba1—Al1^iii	102.712 (5)	Ba1^i—Ca1—Cu2^v	58.521 (2)
Cu1^ii—Ba1—Al1^iv	67.047 (5)	Ba1^i—Ca1—Cu2^vi	58.521 (2)
Cu1^iii—Ba1—Cu1^iv	67.047 (5)	Ba1^i—Ca1—Cu2^i	58.521 (2)
Cu1^iii—Ba1—Cu2	111.609 (5)	Ba1^i—Ca1—Cu2^vii	58.521 (2)
Cu1^iii—Ba1—Cu2^ii	177.49	Ba1^i—Ca1—O2	126.697 (3)
Cu1^iii—Ba1—Cu2^iii	74.781 (5)	Ba1^i—Ca1—O2^ii	126.697 (3)
Cu1^iii—Ba1—Cu2^iv	111.609 (5)	Ba1^i—Ca1—O2^xii	126.697 (3)
Cu1^iii—Ba1—O1	85.301 (5)	Ba1^i—Ca1—O2^xiii	126.697 (3)
Cu1^iii—Ba1—O1^ii	133.818 (3)	Ba1^i—Ca1—O2^i	53.303 (3)
Cu1^iii—Ba1—O1^iii	31.1063 (18)	Ba1^i—Ca1—O2^vii	53.303 (3)
Cu1^iii—Ba1—O1^iv	85.301 (5)	Ba1^i—Ca1—O2^xviii	53.303 (3)
Cu1^iii—Ba1—Ca1	128.644 (2)	Ba1^i—Ca1—O2^xix	53.303 (3)
Cu1^iii—Ba1—Al1	67.047 (5)	Ba1^i—Ca1—Ca1^viii	90
Cu1^iii—Ba1—Al1^ii	102.712 (5)	Ba1^i—Ca1—Ca1^ix	90
Cu1^iii—Ba1—Al1^iii	0.0 (5)	Ba1^i—Ca1—Ca1^ii	90
Cu1^iii—Ba1—Al1^iv	67.047 (5)	Ba1^i—Ca1—Ca1^iii	90
Cu1^iv—Ba1—Cu2	177.49	Cu2—Ca1—Cu2^ii	74.177 (5)
Cu1^iv—Ba1—Cu2^ii	111.609 (5)	Cu2—Ca1—Cu2^iii	74.177 (5)
Cu1^iv—Ba1—Cu2^iii	111.609 (5)	Cu2—Ca1—Cu2^iv	117.043 (4)
Cu1^iv—Ba1—Cu2^iv	74.781 (5)	Cu2—Ca1—Cu2^v	62.957 (4)
Cu1^iv—Ba1—O1	133.818 (3)	Cu2—Ca1—Cu2^vi	105.823 (5)
Cu1^iv—Ba1—O1^ii	85.301 (5)	Cu2—Ca1—Cu2^i	105.823 (5)
Cu1^iv—Ba1—O1^iii	85.301 (5)	Cu2—Ca1—Cu2^vii	180.0 (5)
Cu1^iv—Ba1—O1^iv	31.1063 (18)	Cu2—Ca1—O2	37.291 (3)
Cu1^iv—Ba1—Ca1	128.644 (2)	Cu2—Ca1—O2^ii	99.874 (5)
Cu1^iv—Ba1—Al1	102.712 (5)	Cu2—Ca1—O2^xii	37.291 (3)
Cu1^iv—Ba1—Al1^ii	67.047 (5)	Cu2—Ca1—O2^xiii	99.874 (5)
Cu1^iv—Ba1—Al1^iii	67.047 (5)	Cu2—Ca1—O2^i	80.126 (5)
Cu1^iv—Ba1—Al1^iv	0.0 (5)	Cu2—Ca1—O2^vii	142.709 (3)
Cu2—Ba1—Cu2^ii	69.649 (5)	Cu2—Ca1—O2^xviii	80.126 (5)
Cu2—Ba1—Cu2^iii	69.649 (5)	Cu2—Ca1—O2^xix	142.709 (3)
Cu2—Ba1—Cu2^iv	107.726 (5)	Cu2—Ca1—Ca1^viii	52.912 (3)
Cu2—Ba1—O1	43.674 (3)	Cu2—Ca1—Ca1^ix	52.912 (3)
Cu2—Ba1—O1^ii	94.437 (5)	Cu2—Ca1—Ca1^ii	127.088 (3)
Cu2—Ba1—O1^iii	94.437 (5)	Cu2—Ca1—Ca1^iii	127.088 (3)
Cu2—Ba1—O1^iv	151.4009 (17)	Cu2^ii—Ca1—Cu2^iii	117.043 (4)
Cu2—Ba1—Ca1	53.863 (2)	Cu2^ii—Ca1—Cu2^iv	74.177 (5)
Cu2—Ba1—Al1	74.781 (5)	Cu2^ii—Ca1—Cu2^v	105.823 (5)
Cu2—Ba1—Al1^ii	111.609 (5)	Cu2^ii—Ca1—Cu2^vi	62.957 (4)
Cu2—Ba1—Al1^iii	111.609 (5)	Cu2^ii—Ca1—Cu2^i	180.0 (5)
Cu2—Ba1—Al1^iv	177.49	Cu2^ii—Ca1—Cu2^vii	105.823 (5)
Cu2^ii—Ba1—Cu2^iii	107.726 (5)	Cu2^ii—Ca1—O2	99.874 (5)
Cu2^ii—Ba1—Cu2^iv	69.649 (5)	Cu2^ii—Ca1—O2^ii	37.291 (3)
Cu2^ii—Ba1—O1	94.437 (5)	Cu2^ii—Ca1—O2^xii	37.291 (3)
Cu2^ii—Ba1—O1^ii	43.674 (3)	Cu2^ii—Ca1—O2^xiii	99.874 (5)
Cu2^ii—Ba1—O1^iii	151.4009 (17)	Cu2^ii—Ca1—O2^i	142.709 (3)
Cu2^ii—Ba1—O1^iv	94.437 (5)	Cu2^ii—Ca1—O2^vii	80.126 (5)
Cu2^ii—Ba1—Ca1	53.863 (2)	Cu2^ii—Ca1—O2^xviii	80.126 (5)
Cu2^ii—Ba1—Al1	111.609 (5)	Cu2^ii—Ca1—O2^xix	142.709 (3)
Cu2^ii—Ba1—Al1^ii	74.781 (5)	Cu2^ii—Ca1—Ca1^viii	52.912 (3)
Cu2^ii—Ba1—Al1^iii	177.49	Cu2^ii—Ca1—Ca1^ix	127.088 (3)
Cu2^ii—Ba1—Al1^iv	111.609 (5)	Cu2^ii—Ca1—Ca1^ii	52.912 (3)
Cu2^iii—Ba1—Cu2^iv	69.649 (5)	Cu2^ii—Ca1—Ca1^iii	127.088 (3)
Cu2^iii—Ba1—O1	94.437 (5)	Cu2^iii—Ca1—Cu2^iv	74.177 (5)
Cu2^iii—Ba1—O1^ii	151.4009 (17)	Cu2^iii—Ca1—Cu2^v	105.823 (5)
Cu2^iii—Ba1—O1^iii	43.674 (3)	Cu2^iii—Ca1—Cu2^vi	180.0 (5)
Cu2^iii—Ba1—O1^iv	94.437 (5)	Cu2^iii—Ca1—Cu2^i	62.957 (4)
Cu2^iii—Ba1—Ca1	53.863 (2)	Cu2^iii—Ca1—Cu2^vii	105.823 (5)
Cu2^iii—Ba1—Al1	111.609 (5)	Cu2^iii—Ca1—O2	37.291 (3)
Cu2^iii—Ba1—Al1^ii	177.49	Cu2^iii—Ca1—O2^ii	99.874 (5)
Cu2^iii—Ba1—Al1^iii	74.781 (5)	Cu2^iii—Ca1—O2^xii	99.874 (5)
Cu2^iii—Ba1—Al1^iv	111.609 (5)	Cu2^iii—Ca1—O2^xiii	37.291 (3)
Cu2^iv—Ba1—O1	151.4009 (17)	Cu2^iii—Ca1—O2^i	80.126 (5)
Cu2^iv—Ba1—O1^ii	94.437 (5)	Cu2^iii—Ca1—O2^vii	142.709 (3)
Cu2^iv—Ba1—O1^iii	94.437 (5)	Cu2^iii—Ca1—O2^xviii	142.709 (3)
Cu2^iv—Ba1—O1^iv	43.674 (3)	Cu2^iii—Ca1—O2^xix	80.126 (5)
Cu2^iv—Ba1—Ca1	53.863 (2)	Cu2^iii—Ca1—Ca1^viii	127.088 (3)
Cu2^iv—Ba1—Al1	177.49	Cu2^iii—Ca1—Ca1^ix	52.912 (3)
Cu2^iv—Ba1—Al1^ii	111.609 (5)	Cu2^iii—Ca1—Ca1^ii	127.088 (3)
Cu2^iv—Ba1—Al1^iii	111.609 (5)	Cu2^iii—Ca1—Ca1^iii	52.912 (3)
Cu2^iv—Ba1—Al1^iv	74.781 (5)	Cu2^iv—Ca1—Cu2^v	180.0 (5)
O1—Ba1—O1^ii	89.014 (6)	Cu2^iv—Ca1—Cu2^vi	105.823 (5)
O1—Ba1—O1^iii	89.014 (6)	Cu2^iv—Ca1—Cu2^i	105.823 (5)
O1—Ba1—O1^iv	164.9246 (13)	Cu2^iv—Ca1—Cu2^vii	62.957 (4)
O1—Ba1—Ca1	97.5377 (7)	Cu2^iv—Ca1—O2	99.874 (5)
O1—Ba1—Al1	31.1063 (18)	Cu2^iv—Ca1—O2^ii	37.291 (3)
O1—Ba1—Al1^ii	85.301 (5)	Cu2^iv—Ca1—O2^xii	99.874 (5)
O1—Ba1—Al1^iii	85.301 (5)	Cu2^iv—Ca1—O2^xiii	37.291 (3)
O1—Ba1—Al1^iv	133.818 (3)	Cu2^iv—Ca1—O2^i	142.709 (3)
O1^ii—Ba1—O1^iii	164.9246 (13)	Cu2^iv—Ca1—O2^vii	80.126 (5)
O1^ii—Ba1—O1^iv	89.014 (6)	Cu2^iv—Ca1—O2^xviii	142.709 (3)
O1^ii—Ba1—Ca1	97.5377 (7)	Cu2^iv—Ca1—O2^xix	80.126 (5)
O1^ii—Ba1—Al1	85.301 (5)	Cu2^iv—Ca1—Ca1^viii	127.088 (3)
O1^ii—Ba1—Al1^ii	31.1063 (18)	Cu2^iv—Ca1—Ca1^ix	127.088 (3)
O1^ii—Ba1—Al1^iii	133.818 (3)	Cu2^iv—Ca1—Ca1^ii	52.912 (3)
O1^ii—Ba1—Al1^iv	85.301 (5)	Cu2^iv—Ca1—Ca1^iii	52.912 (3)
O1^iii—Ba1—O1^iv	89.014 (6)	Cu2^v—Ca1—Cu2^vi	74.177 (5)
O1^iii—Ba1—Ca1	97.5377 (7)	Cu2^v—Ca1—Cu2^i	74.177 (5)
O1^iii—Ba1—Al1	85.301 (5)	Cu2^v—Ca1—Cu2^vii	117.043 (4)
O1^iii—Ba1—Al1^ii	133.818 (3)	Cu2^v—Ca1—O2	80.126 (5)
O1^iii—Ba1—Al1^iii	31.1063 (18)	Cu2^v—Ca1—O2^ii	142.709 (3)
O1^iii—Ba1—Al1^iv	85.301 (5)	Cu2^v—Ca1—O2^xii	80.126 (5)
O1^iv—Ba1—Ca1	97.5377 (7)	Cu2^v—Ca1—O2^xiii	142.709 (3)
O1^iv—Ba1—Al1	133.818 (3)	Cu2^v—Ca1—O2^i	37.291 (3)
O1^iv—Ba1—Al1^ii	85.301 (5)	Cu2^v—Ca1—O2^vii	99.874 (5)
O1^iv—Ba1—Al1^iii	85.301 (5)	Cu2^v—Ca1—O2^xviii	37.291 (3)
O1^iv—Ba1—Al1^iv	31.1063 (18)	Cu2^v—Ca1—O2^xix	99.874 (5)
Ca1—Ba1—Al1	128.644 (2)	Cu2^v—Ca1—Ca1^viii	52.912 (3)
Ca1—Ba1—Al1^ii	128.644 (2)	Cu2^v—Ca1—Ca1^ix	52.912 (3)
Ca1—Ba1—Al1^iii	128.644 (2)	Cu2^v—Ca1—Ca1^ii	127.088 (3)
Ca1—Ba1—Al1^iv	128.644 (2)	Cu2^v—Ca1—Ca1^iii	127.088 (3)
Al1—Ba1—Al1^ii	67.047 (5)	Cu2^vi—Ca1—Cu2^i	117.043 (4)
Al1—Ba1—Al1^iii	67.047 (5)	Cu2^vi—Ca1—Cu2^vii	74.177 (5)
Al1—Ba1—Al1^iv	102.712 (5)	Cu2^vi—Ca1—O2	142.709 (3)
Al1^ii—Ba1—Al1^iii	102.712 (5)	Cu2^vi—Ca1—O2^ii	80.126 (5)
Al1^ii—Ba1—Al1^iv	67.047 (5)	Cu2^vi—Ca1—O2^xii	80.126 (5)
Al1^iii—Ba1—Al1^iv	67.047 (5)	Cu2^vi—Ca1—O2^xiii	142.709 (3)
Ba1^xv—Cu1—Ba1^viii	67.047 (5)	Cu2^vi—Ca1—O2^i	99.874 (5)
Ba1^xv—Cu1—Ba1^ix	67.047 (5)	Cu2^vi—Ca1—O2^vii	37.291 (3)
Ba1^xv—Cu1—Ba1	102.712 (5)	Cu2^vi—Ca1—O2^xviii	37.291 (3)
Ba1^xv—Cu1—Ba1^xvi	77.288 (5)	Cu2^vi—Ca1—O2^xix	99.874 (5)
Ba1^xv—Cu1—Ba1^xi	112.953 (5)	Cu2^vi—Ca1—Ca1^viii	52.912 (3)
Ba1^xv—Cu1—Ba1^xvii	112.953 (5)	Cu2^vi—Ca1—Ca1^ix	127.088 (3)
Ba1^xv—Cu1—Ba1^x	180.0 (5)	Cu2^vi—Ca1—Ca1^ii	52.912 (3)
Ba1^xv—Cu1—O1	51.356 (2)	Cu2^vi—Ca1—Ca1^iii	127.088 (3)
Ba1^xv—Cu1—O1^xi	128.644 (2)	Cu2^i—Ca1—Cu2^vii	74.177 (5)
Ba1^xv—Cu1—O3^ix	56.476 (2)	Cu2^i—Ca1—O2	80.126 (5)
Ba1^xv—Cu1—O3	123.524 (2)	Cu2^i—Ca1—O2^ii	142.709 (3)
Ba1^xv—Cu1—O3^xii	56.476 (2)	Cu2^i—Ca1—O2^xii	142.709 (3)
Ba1^xv—Cu1—O3^xiii	123.524 (2)	Cu2^i—Ca1—O2^xiii	80.126 (5)
Ba1^xv—Cu1—Al1	0	Cu2^i—Ca1—O2^i	37.291 (3)
Ba1^viii—Cu1—Ba1^ix	102.712 (5)	Cu2^i—Ca1—O2^vii	99.874 (5)
Ba1^viii—Cu1—Ba1	67.047 (5)	Cu2^i—Ca1—O2^xviii	99.874 (5)
Ba1^viii—Cu1—Ba1^xvi	112.953 (5)	Cu2^i—Ca1—O2^xix	37.291 (3)
Ba1^viii—Cu1—Ba1^xi	77.288 (5)	Cu2^i—Ca1—Ca1^viii	127.088 (3)
Ba1^viii—Cu1—Ba1^xvii	180.0 (5)	Cu2^i—Ca1—Ca1^ix	52.912 (3)
Ba1^viii—Cu1—Ba1^x	112.953 (5)	Cu2^i—Ca1—Ca1^ii	127.088 (3)
Ba1^viii—Cu1—O1	51.356 (2)	Cu2^i—Ca1—Ca1^iii	52.912 (3)
Ba1^viii—Cu1—O1^xi	128.644 (2)	Cu2^vii—Ca1—O2	142.709 (3)
Ba1^viii—Cu1—O3^ix	123.524 (2)	Cu2^vii—Ca1—O2^ii	80.126 (5)
Ba1^viii—Cu1—O3	56.476 (2)	Cu2^vii—Ca1—O2^xii	142.709 (3)
Ba1^viii—Cu1—O3^xii	56.476 (2)	Cu2^vii—Ca1—O2^xiii	80.126 (5)
Ba1^viii—Cu1—O3^xiii	123.524 (2)	Cu2^vii—Ca1—O2^i	99.874 (5)
Ba1^viii—Cu1—Al1	0	Cu2^vii—Ca1—O2^vii	37.291 (3)
Ba1^ix—Cu1—Ba1	67.047 (5)	Cu2^vii—Ca1—O2^xviii	99.874 (5)
Ba1^ix—Cu1—Ba1^xvi	112.953 (5)	Cu2^vii—Ca1—O2^xix	37.291 (3)
Ba1^ix—Cu1—Ba1^xi	180.0 (5)	Cu2^vii—Ca1—Ca1^viii	127.088 (3)
Ba1^ix—Cu1—Ba1^xvii	77.288 (5)	Cu2^vii—Ca1—Ca1^ix	127.088 (3)
Ba1^ix—Cu1—Ba1^x	112.953 (5)	Cu2^vii—Ca1—Ca1^ii	52.912 (3)
Ba1^ix—Cu1—O1	51.356 (2)	Cu2^vii—Ca1—Ca1^iii	52.912 (3)
Ba1^ix—Cu1—O1^xi	128.644 (2)	O2—Ca1—O2^ii	106.606 (6)
Ba1^ix—Cu1—O3^ix	56.476 (2)	O2—Ca1—O2^xii	69.077 (2)
Ba1^ix—Cu1—O3	123.524 (2)	O2—Ca1—O2^xiii	69.077 (2)
Ba1^ix—Cu1—O3^xii	123.524 (2)	O2—Ca1—O2^i	73.394 (6)
Ba1^ix—Cu1—O3^xiii	56.476 (2)	O2—Ca1—O2^vii	180.0 (5)
Ba1^ix—Cu1—Al1	0	O2—Ca1—O2^xviii	110.923 (2)
Ba1—Cu1—Ba1^xvi	180.0 (5)	O2—Ca1—O2^xix	110.923 (2)
Ba1—Cu1—Ba1^xi	112.953 (5)	O2—Ca1—Ca1^viii	90
Ba1—Cu1—Ba1^xvii	112.953 (5)	O2—Ca1—Ca1^ix	36.697 (3)
Ba1—Cu1—Ba1^x	77.288 (5)	O2—Ca1—Ca1^ii	143.303 (3)
Ba1—Cu1—O1	51.356 (2)	O2—Ca1—Ca1^iii	90
Ba1—Cu1—O1^xi	128.644 (2)	O2^ii—Ca1—O2^xii	69.077 (2)
Ba1—Cu1—O3^ix	123.524 (2)	O2^ii—Ca1—O2^xiii	69.077 (2)
Ba1—Cu1—O3	56.476 (2)	O2^ii—Ca1—O2^i	180.0 (5)
Ba1—Cu1—O3^xii	123.524 (2)	O2^ii—Ca1—O2^vii	73.394 (6)
Ba1—Cu1—O3^xiii	56.476 (2)	O2^ii—Ca1—O2^xviii	110.923 (2)
Ba1—Cu1—Al1	0	O2^ii—Ca1—O2^xix	110.923 (2)
Ba1^xvi—Cu1—Ba1^xi	67.047 (5)	O2^ii—Ca1—Ca1^viii	90
Ba1^xvi—Cu1—Ba1^xvii	67.047 (5)	O2^ii—Ca1—Ca1^ix	143.303 (3)
Ba1^xvi—Cu1—Ba1^x	102.712 (5)	O2^ii—Ca1—Ca1^ii	36.697 (3)
Ba1^xvi—Cu1—O1	128.644 (2)	O2^ii—Ca1—Ca1^iii	90
Ba1^xvi—Cu1—O1^xi	51.356 (2)	O2^xii—Ca1—O2^xiii	106.606 (6)
Ba1^xvi—Cu1—O3^ix	56.476 (2)	O2^xii—Ca1—O2^i	110.923 (2)
Ba1^xvi—Cu1—O3	123.524 (2)	O2^xii—Ca1—O2^vii	110.923 (2)
Ba1^xvi—Cu1—O3^xii	56.476 (2)	O2^xii—Ca1—O2^xviii	73.394 (6)
Ba1^xvi—Cu1—O3^xiii	123.524 (2)	O2^xii—Ca1—O2^xix	180.0 (5)
Ba1^xvi—Cu1—Al1	0	O2^xii—Ca1—Ca1^viii	36.697 (3)
Ba1^xi—Cu1—Ba1^xvii	102.712 (5)	O2^xii—Ca1—Ca1^ix	90
Ba1^xi—Cu1—Ba1^x	67.047 (5)	O2^xii—Ca1—Ca1^ii	90
Ba1^xi—Cu1—O1	128.644 (2)	O2^xii—Ca1—Ca1^iii	143.303 (3)
Ba1^xi—Cu1—O1^xi	51.356 (2)	O2^xiii—Ca1—O2^i	110.923 (2)
Ba1^xi—Cu1—O3^ix	123.524 (2)	O2^xiii—Ca1—O2^vii	110.923 (2)
Ba1^xi—Cu1—O3	56.476 (2)	O2^xiii—Ca1—O2^xviii	180.0 (5)
Ba1^xi—Cu1—O3^xii	56.476 (2)	O2^xiii—Ca1—O2^xix	73.394 (6)
Ba1^xi—Cu1—O3^xiii	123.524 (2)	O2^xiii—Ca1—Ca1^viii	143.303 (3)
Ba1^xi—Cu1—Al1	0	O2^xiii—Ca1—Ca1^ix	90
Ba1^xvii—Cu1—Ba1^x	67.047 (5)	O2^xiii—Ca1—Ca1^ii	90
Ba1^xvii—Cu1—O1	128.644 (2)	O2^xiii—Ca1—Ca1^iii	36.697 (3)
Ba1^xvii—Cu1—O1^xi	51.356 (2)	O2^i—Ca1—O2^vii	106.606 (6)
Ba1^xvii—Cu1—O3^ix	56.476 (2)	O2^i—Ca1—O2^xviii	69.077 (2)
Ba1^xvii—Cu1—O3	123.524 (2)	O2^i—Ca1—O2^xix	69.077 (2)
Ba1^xvii—Cu1—O3^xii	123.524 (2)	O2^i—Ca1—Ca1^viii	90
Ba1^xvii—Cu1—O3^xiii	56.476 (2)	O2^i—Ca1—Ca1^ix	36.697 (3)
Ba1^xvii—Cu1—Al1	0	O2^i—Ca1—Ca1^ii	143.303 (3)
Ba1^x—Cu1—O1	128.644 (2)	O2^i—Ca1—Ca1^iii	90
Ba1^x—Cu1—O1^xi	51.356 (2)	O2^vii—Ca1—O2^xviii	69.077 (2)
Ba1^x—Cu1—O3^ix	123.524 (2)	O2^vii—Ca1—O2^xix	69.077 (2)
Ba1^x—Cu1—O3	56.476 (2)	O2^vii—Ca1—Ca1^viii	90
Ba1^x—Cu1—O3^xii	123.524 (2)	O2^vii—Ca1—Ca1^ix	143.303 (3)
Ba1^x—Cu1—O3^xiii	56.476 (2)	O2^vii—Ca1—Ca1^ii	36.697 (3)
Ba1^x—Cu1—Al1	0	O2^vii—Ca1—Ca1^iii	90
O1—Cu1—O1^xi	180.0 (5)	O2^xviii—Ca1—O2^xix	106.606 (6)
O1—Cu1—O3^ix	90	O2^xviii—Ca1—Ca1^viii	36.697 (3)
O1—Cu1—O3	90	O2^xviii—Ca1—Ca1^ix	90
O1—Cu1—O3^xii	90	O2^xviii—Ca1—Ca1^ii	90
O1—Cu1—O3^xiii	90	O2^xviii—Ca1—Ca1^iii	143.303 (3)
O1—Cu1—Al1	0	O2^xix—Ca1—Ca1^viii	143.303 (3)
O1^xi—Cu1—O3^ix	90	O2^xix—Ca1—Ca1^ix	90
O1^xi—Cu1—O3	90	O2^xix—Ca1—Ca1^ii	90
O1^xi—Cu1—O3^xii	90	O2^xix—Ca1—Ca1^iii	36.697 (3)
O1^xi—Cu1—O3^xiii	90	Ca1^viii—Ca1—Ca1^ix	90
O1^xi—Cu1—Al1	0	Ca1^viii—Ca1—Ca1^ii	90
O3^ix—Cu1—O3	180.0 (5)	Ca1^viii—Ca1—Ca1^iii	180.0 (5)
O3^ix—Cu1—O3^xii	90	Ca1^ix—Ca1—Ca1^ii	180.0 (5)
O3^ix—Cu1—O3^xiii	90	Ca1^ix—Ca1—Ca1^iii	90
O3^ix—Cu1—Al1	0	Ca1^ii—Ca1—Ca1^iii	90
O3—Cu1—O3^xii	90	Ba1^xv—Al1—Ba1^viii	67.047 (5)
O3—Cu1—O3^xiii	90	Ba1^xv—Al1—Ba1^ix	67.047 (5)
O3—Cu1—Al1	0	Ba1^xv—Al1—Ba1	102.712 (5)
O3^xii—Cu1—O3^xiii	180.0 (5)	Ba1^xv—Al1—Ba1^xvi	77.288 (5)
O3^xii—Cu1—Al1	0	Ba1^xv—Al1—Ba1^xi	112.953 (5)
O3^xiii—Cu1—Al1	0	Ba1^xv—Al1—Ba1^xvii	112.953 (5)
Y1^xv—Cu2—Y1^viii	74.177 (5)	Ba1^xv—Al1—Ba1^x	180.0 (5)
Y1^xv—Cu2—Y1^ix	74.177 (5)	Ba1^xv—Al1—Cu1	0
Y1^xv—Cu2—Y1	117.043 (4)	Ba1^viii—Al1—Ba1^ix	102.712 (5)
Y1^xv—Cu2—Ba1^xv	67.615 (5)	Ba1^viii—Al1—Ba1	67.047 (5)
Y1^xv—Cu2—Ba1^viii	107.935 (5)	Ba1^viii—Al1—Ba1^xvi	112.953 (5)
Y1^xv—Cu2—Ba1^ix	107.935 (5)	Ba1^viii—Al1—Ba1^xi	77.288 (5)
Y1^xv—Cu2—Ba1	175.3418 (2)	Ba1^viii—Al1—Ba1^xvii	180.0 (5)
Y1^xv—Cu2—O2^viii	48.606 (2)	Ba1^viii—Al1—Ba1^x	112.953 (5)
Y1^xv—Cu2—O2	122.424 (3)	Ba1^viii—Al1—Cu1	0
Y1^xv—Cu2—O2^xiv	48.606 (2)	Ba1^ix—Al1—Ba1	67.047 (5)
Y1^xv—Cu2—O2^xii	122.424 (3)	Ba1^ix—Al1—Ba1^xvi	112.953 (5)
Y1^xv—Cu2—Ca1^xv	0.0 (5)	Ba1^ix—Al1—Ba1^xi	180.0 (5)
Y1^xv—Cu2—Ca1^viii	74.177 (5)	Ba1^ix—Al1—Ba1^xvii	77.288 (5)
Y1^xv—Cu2—Ca1^ix	74.177 (5)	Ba1^ix—Al1—Ba1^x	112.953 (5)
Y1^xv—Cu2—Ca1	117.043 (4)	Ba1^ix—Al1—Cu1	0
Y1^viii—Cu2—Y1^ix	117.043 (4)	Ba1—Al1—Ba1^xvi	180.0 (5)
Y1^viii—Cu2—Y1	74.177 (5)	Ba1—Al1—Ba1^xi	112.953 (5)
Y1^viii—Cu2—Ba1^xv	107.935 (5)	Ba1—Al1—Ba1^xvii	112.953 (5)
Y1^viii—Cu2—Ba1^viii	67.615 (5)	Ba1—Al1—Ba1^x	77.288 (5)
Y1^viii—Cu2—Ba1^ix	175.3418 (2)	Ba1—Al1—Cu1	0
Y1^viii—Cu2—Ba1	107.935 (5)	Ba1^xvi—Al1—Ba1^xi	67.047 (5)
Y1^viii—Cu2—O2^viii	48.606 (2)	Ba1^xvi—Al1—Ba1^xvii	67.047 (5)
Y1^viii—Cu2—O2	122.424 (3)	Ba1^xvi—Al1—Ba1^x	102.712 (5)
Y1^viii—Cu2—O2^xiv	122.424 (3)	Ba1^xvi—Al1—Cu1	0
Y1^viii—Cu2—O2^xii	48.606 (2)	Ba1^xi—Al1—Ba1^xvii	102.712 (5)
Y1^viii—Cu2—Ca1^xv	74.177 (5)	Ba1^xi—Al1—Ba1^x	67.047 (5)
Y1^viii—Cu2—Ca1^viii	0.0 (5)	Ba1^xi—Al1—Cu1	0
Y1^viii—Cu2—Ca1^ix	117.043 (4)	Ba1^xvii—Al1—Ba1^x	67.047 (5)
Y1^viii—Cu2—Ca1	74.177 (5)	Ba1^xvii—Al1—Cu1	0
Y1^ix—Cu2—Y1	74.177 (5)	Ba1^x—Al1—Cu1	0
Y1^ix—Cu2—Ba1^xv	107.935 (5)

Symmetry codes: (i) −x+1, y, −z+1; (ii) x, y+1, z; (iii) x+1, y, z; (iv) x+1, y+1, z; (v) −x, y, −z+1; (vi) −x, y+1, −z+1; (vii) −x+1, y+1, −z+1; (viii) x−1, y, z; (ix) x, y−1, z; (x) −x+1, y, −z; (xi) −x, y, −z; (xii) −y, x, z; (xiii) −y+1, x, z; (xiv) −y, x−1, z; (xv) x−1, y−1, z; (xvi) −x, y−1, −z; (xvii) −x+1, y−1, −z; (xviii) y, x, −z+1; (xix) y+1, x, −z+1.

(crystal_a2)

Crystal data

Al0.10Ba2Ca0.08Cu2.90O6.89Y0.92	Dx = 6.301 Mg m^−3
Mr = 657.02	Mo Kα radiation, λ = 0.7107 Å
Tetragonal, P4/mmm	Cell parameters from 671 reflections
Hall symbol: -P 4 2	θ = 5.2–28.6°
a = 3.8526 (5) Å	µ = 27.65 mm^−1
c = 11.6660 (15) Å	T = 293 K
V = 173.15 (5) Å^3	Micro-tape, metallic dark grey
Z = 1	0.23 × 0.02 × 0.01 mm
F(000) = 290

Data collection

Xcalibur, Ruby, Gemini ultra diffractometer	186 independent reflections
Radiation source: Enhance (Mo) X-ray Source	162 reflections with I > 3σ(I)
Graphite monochromator	Rint = 0.033
Detector resolution: 10.2890 pixels mm^-1	θmax = 29.1°, θmin = 3.5°
ω scans	h = −5→4
Absorption correction: integration CrysAlisPro, Agilent Technologies, Version 1.171.36.28 Numerical absorption correction based on gaussian integration over a multifaceted crystal model	k = −5→3
Tmin = 0.127, Tmax = 0.821	l = −15→12
1215 measured reflections

Refinement

Refinement on F	0 restraints
R[F^2 > 2σ(F^2)] = 0.020	0 constraints
wR(F^2) = 0.027	Weighting scheme based on measured s.u.'s w = 1/(σ^2(F) + 0.0004F^2)
S = 0.92	(Δ/σ)max = 0.044
162 reflections	Δρmax = 0.47 e Å^−3
20 parameters	Δρmin = −0.52 e Å^−3

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
Ba1	0.5	0.5	0.18584 (6)	0.0111 (2)
Y1	0.5	0.5	0.5	0.0066 (4)	0.923 (12)
Cu1	0	0	0	0.0118 (6)	0.899 (12)
Cu2	0	0	0.35668 (12)	0.0059 (3)
O1	0	0	0.1555 (7)	0.022 (2)
O2	0.5	0	0.3777 (5)	0.0055 (10)*
O3	0	0.5	0	0.024 (7)*	0.44 (3)
Ca1	0.5	0.5	0.5	0.0066 (4)	0.077 (12)
Al1	0	0	0	0.0118 (6)	0.101 (12)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ba1	0.0120 (3)	0.0120 (3)	0.0093 (4)	0	0	0
Y1	0.0075 (6)	0.0075 (6)	0.0047 (9)	0	0	0
Cu1	0.0158 (8)	0.0158 (8)	0.0036 (12)	0	0	0
Cu2	0.0048 (4)	0.0048 (4)	0.0080 (8)	0	0	0
O1	0.027 (3)	0.027 (3)	0.012 (5)	0	0	0
Ca1	0.0075 (6)	0.0075 (6)	0.0047 (9)	0	0	0
Al1	0.0158 (8)	0.0158 (8)	0.0036 (12)	0	0	0

Geometric parameters (Å, º)

Ba1—Ba1^i	3.8526 (10)	Y1—O2^xi	2.3975 (5)
Ba1—Ba1^ii	3.8526 (10)	Y1—O2^xii	2.3975 (5)
Ba1—Ba1^iii	3.8526 (10)	Y1—O2^ix	2.3975 (5)
Ba1—Ba1^iv	3.8526 (10)	Y1—O2^x	2.3975 (5)
Ba1—Ba1^v	4.3360 (11)	Y1—O2^xiii	2.3975 (5)
Ba1—Y1	3.6650 (9)	Y1—O2^xiv	2.3975 (5)
Ba1—Cu1	3.4816 (5)	Y1—Ca1^i	3.8526 (10)
Ba1—Cu1^iii	3.4816 (5)	Y1—Ca1^ii	3.8526 (10)
Ba1—Cu1^iv	3.4816 (5)	Y1—Ca1	0
Ba1—Cu1^vi	3.4816 (5)	Y1—Ca1^iii	3.8526 (10)
Ba1—Cu2	3.3754 (5)	Y1—Ca1^iv	3.8526 (10)
Ba1—Cu2^iii	3.3754 (5)	Cu1—O1	1.8145 (5)
Ba1—Cu2^iv	3.3754 (5)	Cu1—O1^xv	1.8145 (5)
Ba1—Cu2^vi	3.3754 (5)	Cu1—O3^ii	1.9263 (5)
Ba1—O1	2.7470 (5)	Cu1—O3	1.9263 (5)
Ba1—O1^iii	2.7470 (5)	Cu1—O3^xi	1.9263 (5)
Ba1—O1^iv	2.7470 (5)	Cu1—O3^xii	1.9263 (5)
Ba1—O1^vi	2.7470 (5)	Cu1—Al1	0
Ba1—Ca1	3.6650 (9)	Cu2—O2^i	1.9418 (5)
Ba1—Al1	3.4816 (5)	Cu2—O2	1.9418 (5)
Ba1—Al1^iii	3.4816 (5)	Cu2—O2^xvi	1.9418 (5)
Ba1—Al1^iv	3.4816 (5)	Cu2—O2^xi	1.9418 (5)
Ba1—Al1^vi	3.4816 (5)	Cu2—Ca1^xvii	3.1964 (5)
Y1—Cu2	3.1964 (5)	Cu2—Ca1^i	3.1964 (5)
Y1—Cu2^iii	3.1964 (5)	Cu2—Ca1^ii	3.1964 (5)
Y1—Cu2^iv	3.1964 (5)	Cu2—Ca1	3.1964 (5)
Y1—Cu2^vi	3.1964 (5)	O2—Ca1^ii	2.3975 (5)
Y1—Cu2^vii	3.1964 (5)	O2—Ca1	2.3975 (5)
Y1—Cu2^viii	3.1964 (5)	Ca1—Ca1^i	3.8526 (10)
Y1—Cu2^ix	3.1964 (5)	Ca1—Ca1^ii	3.8526 (10)
Y1—Cu2^x	3.1964 (5)	Ca1—Ca1^iii	3.8526 (10)
Y1—O2	2.3975 (5)	Ca1—Ca1^iv	3.8526 (10)
Y1—O2^iii	2.3975 (5)
Ba1^i—Ba1—Ba1^ii	90	Ba1^xv—Cu1—O3^xi	56.408 (4)
Ba1^i—Ba1—Ba1^iii	90	Ba1^xv—Cu1—O3^xii	123.592 (4)
Ba1^i—Ba1—Ba1^iv	180.0 (5)	Ba1^xv—Cu1—Al1	0
Ba1^i—Ba1—Ba1^v	90	Ba1^xix—Cu1—Ba1^v	67.185 (8)
Ba1^i—Ba1—Y1	90	Ba1^xix—Cu1—O1	128.514 (4)
Ba1^i—Ba1—Cu1	56.408 (4)	Ba1^xix—Cu1—O1^xv	51.486 (4)
Ba1^i—Ba1—Cu1^iii	56.408 (4)	Ba1^xix—Cu1—O3^ii	56.408 (4)
Ba1^i—Ba1—Cu1^iv	123.592 (4)	Ba1^xix—Cu1—O3	123.592 (4)
Ba1^i—Ba1—Cu1^vi	123.592 (4)	Ba1^xix—Cu1—O3^xi	123.592 (4)
Ba1^i—Ba1—Cu2	55.202 (4)	Ba1^xix—Cu1—O3^xii	56.408 (4)
Ba1^i—Ba1—Cu2^iii	55.202 (4)	Ba1^xix—Cu1—Al1	0
Ba1^i—Ba1—Cu2^iv	124.798 (4)	Ba1^v—Cu1—O1	128.514 (4)
Ba1^i—Ba1—Cu2^vi	124.798 (4)	Ba1^v—Cu1—O1^xv	51.486 (4)
Ba1^i—Ba1—O1	45.474 (5)	Ba1^v—Cu1—O3^ii	123.592 (4)
Ba1^i—Ba1—O1^iii	45.474 (5)	Ba1^v—Cu1—O3	56.408 (4)
Ba1^i—Ba1—O1^iv	134.526 (5)	Ba1^v—Cu1—O3^xi	123.592 (4)
Ba1^i—Ba1—O1^vi	134.526 (5)	Ba1^v—Cu1—O3^xii	56.408 (4)
Ba1^i—Ba1—Ca1	90	Ba1^v—Cu1—Al1	0
Ba1^i—Ba1—Al1	56.408 (4)	O1—Cu1—O1^xv	180.0 (5)
Ba1^i—Ba1—Al1^iii	56.408 (4)	O1—Cu1—O3^ii	90
Ba1^i—Ba1—Al1^iv	123.592 (4)	O1—Cu1—O3	90
Ba1^i—Ba1—Al1^vi	123.592 (4)	O1—Cu1—O3^xi	90
Ba1^ii—Ba1—Ba1^iii	180.0 (5)	O1—Cu1—O3^xii	90
Ba1^ii—Ba1—Ba1^iv	90	O1—Cu1—Al1	0
Ba1^ii—Ba1—Ba1^v	90	O1^xv—Cu1—O3^ii	90
Ba1^ii—Ba1—Y1	90	O1^xv—Cu1—O3	90
Ba1^ii—Ba1—Cu1	56.408 (4)	O1^xv—Cu1—O3^xi	90
Ba1^ii—Ba1—Cu1^iii	123.592 (4)	O1^xv—Cu1—O3^xii	90
Ba1^ii—Ba1—Cu1^iv	56.408 (4)	O1^xv—Cu1—Al1	0
Ba1^ii—Ba1—Cu1^vi	123.592 (4)	O3^ii—Cu1—O3	180.0 (5)
Ba1^ii—Ba1—Cu2	55.202 (4)	O3^ii—Cu1—O3^xi	90
Ba1^ii—Ba1—Cu2^iii	124.798 (4)	O3^ii—Cu1—O3^xii	90
Ba1^ii—Ba1—Cu2^iv	55.202 (4)	O3^ii—Cu1—Al1	0
Ba1^ii—Ba1—Cu2^vi	124.798 (4)	O3—Cu1—O3^xi	90
Ba1^ii—Ba1—O1	45.474 (5)	O3—Cu1—O3^xii	90
Ba1^ii—Ba1—O1^iii	134.526 (5)	O3—Cu1—Al1	0
Ba1^ii—Ba1—O1^iv	45.474 (5)	O3^xi—Cu1—O3^xii	180.0 (5)
Ba1^ii—Ba1—O1^vi	134.526 (5)	O3^xi—Cu1—Al1	0
Ba1^ii—Ba1—Ca1	90	O3^xii—Cu1—Al1	0
Ba1^ii—Ba1—Al1	56.408 (4)	Ba1^xvii—Cu2—Ba1^i	69.596 (9)
Ba1^ii—Ba1—Al1^iii	123.592 (4)	Ba1^xvii—Cu2—Ba1^ii	69.596 (9)
Ba1^ii—Ba1—Al1^iv	56.408 (4)	Ba1^xvii—Cu2—Ba1	107.622 (9)
Ba1^ii—Ba1—Al1^vi	123.592 (4)	Ba1^xvii—Cu2—Y1^xvii	67.729 (8)
Ba1^iii—Ba1—Ba1^iv	90	Ba1^xvii—Cu2—Y1^i	107.990 (9)
Ba1^iii—Ba1—Ba1^v	90	Ba1^xvii—Cu2—Y1^ii	107.990 (9)
Ba1^iii—Ba1—Y1	90	Ba1^xvii—Cu2—Y1	175.3503 (3)
Ba1^iii—Ba1—Cu1	123.592 (4)	Ba1^xvii—Cu2—O2^i	60.544 (5)
Ba1^iii—Ba1—Cu1^iii	56.408 (4)	Ba1^xvii—Cu2—O2	129.831 (4)
Ba1^iii—Ba1—Cu1^iv	123.592 (4)	Ba1^xvii—Cu2—O2^xvi	60.544 (5)
Ba1^iii—Ba1—Cu1^vi	56.408 (4)	Ba1^xvii—Cu2—O2^xi	129.831 (4)
Ba1^iii—Ba1—Cu2	124.798 (4)	Ba1^xvii—Cu2—Ca1^xvii	67.729 (8)
Ba1^iii—Ba1—Cu2^iii	55.202 (4)	Ba1^xvii—Cu2—Ca1^i	107.990 (9)
Ba1^iii—Ba1—Cu2^iv	124.798 (4)	Ba1^xvii—Cu2—Ca1^ii	107.990 (9)
Ba1^iii—Ba1—Cu2^vi	55.202 (4)	Ba1^xvii—Cu2—Ca1	175.3503 (3)
Ba1^iii—Ba1—O1	134.526 (5)	Ba1^i—Cu2—Ba1^ii	107.622 (9)
Ba1^iii—Ba1—O1^iii	45.474 (5)	Ba1^i—Cu2—Ba1	69.596 (9)
Ba1^iii—Ba1—O1^iv	134.526 (5)	Ba1^i—Cu2—Y1^xvii	107.990 (9)
Ba1^iii—Ba1—O1^vi	45.474 (5)	Ba1^i—Cu2—Y1^i	67.729 (8)
Ba1^iii—Ba1—Ca1	90	Ba1^i—Cu2—Y1^ii	175.3503 (3)
Ba1^iii—Ba1—Al1	123.592 (4)	Ba1^i—Cu2—Y1	107.990 (9)
Ba1^iii—Ba1—Al1^iii	56.408 (4)	Ba1^i—Cu2—O2^i	60.544 (5)
Ba1^iii—Ba1—Al1^iv	123.592 (4)	Ba1^i—Cu2—O2	129.831 (4)
Ba1^iii—Ba1—Al1^vi	56.408 (4)	Ba1^i—Cu2—O2^xvi	129.831 (4)
Ba1^iv—Ba1—Ba1^v	90	Ba1^i—Cu2—O2^xi	60.544 (5)
Ba1^iv—Ba1—Y1	90	Ba1^i—Cu2—Ca1^xvii	107.990 (9)
Ba1^iv—Ba1—Cu1	123.592 (4)	Ba1^i—Cu2—Ca1^i	67.729 (8)
Ba1^iv—Ba1—Cu1^iii	123.592 (4)	Ba1^i—Cu2—Ca1^ii	175.3503 (3)
Ba1^iv—Ba1—Cu1^iv	56.408 (4)	Ba1^i—Cu2—Ca1	107.990 (9)
Ba1^iv—Ba1—Cu1^vi	56.408 (4)	Ba1^ii—Cu2—Ba1	69.596 (9)
Ba1^iv—Ba1—Cu2	124.798 (4)	Ba1^ii—Cu2—Y1^xvii	107.990 (9)
Ba1^iv—Ba1—Cu2^iii	124.798 (4)	Ba1^ii—Cu2—Y1^i	175.3503 (3)
Ba1^iv—Ba1—Cu2^iv	55.202 (4)	Ba1^ii—Cu2—Y1^ii	67.729 (8)
Ba1^iv—Ba1—Cu2^vi	55.202 (4)	Ba1^ii—Cu2—Y1	107.990 (9)
Ba1^iv—Ba1—O1	134.526 (5)	Ba1^ii—Cu2—O2^i	129.831 (4)
Ba1^iv—Ba1—O1^iii	134.526 (5)	Ba1^ii—Cu2—O2	60.544 (5)
Ba1^iv—Ba1—O1^iv	45.474 (5)	Ba1^ii—Cu2—O2^xvi	60.544 (5)
Ba1^iv—Ba1—O1^vi	45.474 (5)	Ba1^ii—Cu2—O2^xi	129.831 (4)
Ba1^iv—Ba1—Ca1	90	Ba1^ii—Cu2—Ca1^xvii	107.990 (9)
Ba1^iv—Ba1—Al1	123.592 (4)	Ba1^ii—Cu2—Ca1^i	175.3503 (3)
Ba1^iv—Ba1—Al1^iii	123.592 (4)	Ba1^ii—Cu2—Ca1^ii	67.729 (8)
Ba1^iv—Ba1—Al1^iv	56.408 (4)	Ba1^ii—Cu2—Ca1	107.990 (9)
Ba1^iv—Ba1—Al1^vi	56.408 (4)	Ba1—Cu2—Y1^xvii	175.3503 (3)
Ba1^v—Ba1—Y1	180.0 (5)	Ba1—Cu2—Y1^i	107.990 (9)
Ba1^v—Ba1—Cu1	51.486 (4)	Ba1—Cu2—Y1^ii	107.990 (9)
Ba1^v—Ba1—Cu1^iii	51.486 (4)	Ba1—Cu2—Y1	67.729 (8)
Ba1^v—Ba1—Cu1^iv	51.486 (4)	Ba1—Cu2—O2^i	129.831 (4)
Ba1^v—Ba1—Cu1^vi	51.486 (4)	Ba1—Cu2—O2	60.544 (5)
Ba1^v—Ba1—Cu2	126.189 (4)	Ba1—Cu2—O2^xvi	129.831 (4)
Ba1^v—Ba1—Cu2^iii	126.189 (4)	Ba1—Cu2—O2^xi	60.544 (5)
Ba1^v—Ba1—Cu2^iv	126.189 (4)	Ba1—Cu2—Ca1^xvii	175.3503 (3)
Ba1^v—Ba1—Cu2^vi	126.189 (4)	Ba1—Cu2—Ca1^i	107.990 (9)
Ba1^v—Ba1—O1	82.6064 (12)	Ba1—Cu2—Ca1^ii	107.990 (9)
Ba1^v—Ba1—O1^iii	82.6064 (12)	Ba1—Cu2—Ca1	67.729 (8)
Ba1^v—Ba1—O1^iv	82.6064 (12)	Y1^xvii—Cu2—Y1^i	74.120 (9)
Ba1^v—Ba1—O1^vi	82.6064 (12)	Y1^xvii—Cu2—Y1^ii	74.120 (9)
Ba1^v—Ba1—Ca1	180.0 (5)	Y1^xvii—Cu2—Y1	116.921 (8)
Ba1^v—Ba1—Al1	51.486 (4)	Y1^xvii—Cu2—O2^i	48.414 (4)
Ba1^v—Ba1—Al1^iii	51.486 (4)	Y1^xvii—Cu2—O2	122.138 (5)
Ba1^v—Ba1—Al1^iv	51.486 (4)	Y1^xvii—Cu2—O2^xvi	48.414 (4)
Ba1^v—Ba1—Al1^vi	51.486 (4)	Y1^xvii—Cu2—O2^xi	122.138 (5)
Y1—Ba1—Cu1	128.514 (4)	Y1^xvii—Cu2—Ca1^xvii	0.0 (5)
Y1—Ba1—Cu1^iii	128.514 (4)	Y1^xvii—Cu2—Ca1^i	74.120 (9)
Y1—Ba1—Cu1^iv	128.514 (4)	Y1^xvii—Cu2—Ca1^ii	74.120 (9)
Y1—Ba1—Cu1^vi	128.514 (4)	Y1^xvii—Cu2—Ca1	116.921 (8)
Y1—Ba1—Cu2	53.811 (4)	Y1^i—Cu2—Y1^ii	116.921 (8)
Y1—Ba1—Cu2^iii	53.811 (4)	Y1^i—Cu2—Y1	74.120 (9)
Y1—Ba1—Cu2^iv	53.811 (4)	Y1^i—Cu2—O2^i	48.414 (4)
Y1—Ba1—Cu2^vi	53.811 (4)	Y1^i—Cu2—O2	122.138 (5)
Y1—Ba1—O1	97.3936 (12)	Y1^i—Cu2—O2^xvi	122.138 (5)
Y1—Ba1—O1^iii	97.3936 (12)	Y1^i—Cu2—O2^xi	48.414 (4)
Y1—Ba1—O1^iv	97.3936 (12)	Y1^i—Cu2—Ca1^xvii	74.120 (9)
Y1—Ba1—O1^vi	97.3936 (12)	Y1^i—Cu2—Ca1^i	0.0 (5)
Y1—Ba1—Ca1	0.0 (5)	Y1^i—Cu2—Ca1^ii	116.921 (8)
Y1—Ba1—Al1	128.514 (4)	Y1^i—Cu2—Ca1	74.120 (9)
Y1—Ba1—Al1^iii	128.514 (4)	Y1^ii—Cu2—Y1	74.120 (9)
Y1—Ba1—Al1^iv	128.514 (4)	Y1^ii—Cu2—O2^i	122.138 (5)
Y1—Ba1—Al1^vi	128.514 (4)	Y1^ii—Cu2—O2	48.414 (4)
Cu1—Ba1—Cu1^iii	67.185 (8)	Y1^ii—Cu2—O2^xvi	48.414 (4)
Cu1—Ba1—Cu1^iv	67.185 (8)	Y1^ii—Cu2—O2^xi	122.138 (5)
Cu1—Ba1—Cu1^vi	102.972 (9)	Y1^ii—Cu2—Ca1^xvii	74.120 (9)
Cu1—Ba1—Cu2	74.703 (9)	Y1^ii—Cu2—Ca1^i	116.921 (8)
Cu1—Ba1—Cu2^iii	111.572 (8)	Y1^ii—Cu2—Ca1^ii	0.0 (5)
Cu1—Ba1—Cu2^iv	111.572 (8)	Y1^ii—Cu2—Ca1	74.120 (9)
Cu1—Ba1—Cu2^vi	177.68	Y1—Cu2—O2^i	122.138 (5)
Cu1—Ba1—O1	31.120 (3)	Y1—Cu2—O2	48.414 (4)
Cu1—Ba1—O1^iii	85.404 (8)	Y1—Cu2—O2^xvi	122.138 (5)
Cu1—Ba1—O1^iv	85.404 (8)	Y1—Cu2—O2^xi	48.414 (4)
Cu1—Ba1—O1^vi	134.092 (6)	Y1—Cu2—Ca1^xvii	116.921 (8)
Cu1—Ba1—Ca1	128.514 (4)	Y1—Cu2—Ca1^i	74.120 (9)
Cu1—Ba1—Al1	0.0 (5)	Y1—Cu2—Ca1^ii	74.120 (9)
Cu1—Ba1—Al1^iii	67.185 (8)	Y1—Cu2—Ca1	0.0 (5)
Cu1—Ba1—Al1^iv	67.185 (8)	O2^i—Cu2—O2	165.526 (3)
Cu1—Ba1—Al1^vi	102.972 (9)	O2^i—Cu2—O2^xvi	89.0907 (3)
Cu1^iii—Ba1—Cu1^iv	102.972 (9)	O2^i—Cu2—O2^xi	89.0907 (3)
Cu1^iii—Ba1—Cu1^vi	67.185 (8)	O2^i—Cu2—Ca1^xvii	48.414 (4)
Cu1^iii—Ba1—Cu2	111.572 (8)	O2^i—Cu2—Ca1^i	48.414 (4)
Cu1^iii—Ba1—Cu2^iii	74.703 (9)	O2^i—Cu2—Ca1^ii	122.138 (5)
Cu1^iii—Ba1—Cu2^iv	177.68	O2^i—Cu2—Ca1	122.138 (5)
Cu1^iii—Ba1—Cu2^vi	111.572 (8)	O2—Cu2—O2^xvi	89.0907 (3)
Cu1^iii—Ba1—O1	85.404 (8)	O2—Cu2—O2^xi	89.0907 (3)
Cu1^iii—Ba1—O1^iii	31.120 (3)	O2—Cu2—Ca1^xvii	122.138 (5)
Cu1^iii—Ba1—O1^iv	134.092 (6)	O2—Cu2—Ca1^i	122.138 (5)
Cu1^iii—Ba1—O1^vi	85.404 (8)	O2—Cu2—Ca1^ii	48.414 (4)
Cu1^iii—Ba1—Ca1	128.514 (4)	O2—Cu2—Ca1	48.414 (4)
Cu1^iii—Ba1—Al1	67.185 (8)	O2^xvi—Cu2—O2^xi	165.526 (3)
Cu1^iii—Ba1—Al1^iii	0.0 (5)	O2^xvi—Cu2—Ca1^xvii	48.414 (4)
Cu1^iii—Ba1—Al1^iv	102.972 (9)	O2^xvi—Cu2—Ca1^i	122.138 (5)
Cu1^iii—Ba1—Al1^vi	67.185 (8)	O2^xvi—Cu2—Ca1^ii	48.414 (4)
Cu1^iv—Ba1—Cu1^vi	67.185 (8)	O2^xvi—Cu2—Ca1	122.138 (5)
Cu1^iv—Ba1—Cu2	111.572 (8)	O2^xi—Cu2—Ca1^xvii	122.138 (5)
Cu1^iv—Ba1—Cu2^iii	177.68	O2^xi—Cu2—Ca1^i	48.414 (4)
Cu1^iv—Ba1—Cu2^iv	74.703 (9)	O2^xi—Cu2—Ca1^ii	122.138 (5)
Cu1^iv—Ba1—Cu2^vi	111.572 (8)	O2^xi—Cu2—Ca1	48.414 (4)
Cu1^iv—Ba1—O1	85.404 (8)	Ca1^xvii—Cu2—Ca1^i	74.120 (9)
Cu1^iv—Ba1—O1^iii	134.092 (6)	Ca1^xvii—Cu2—Ca1^ii	74.120 (9)
Cu1^iv—Ba1—O1^iv	31.120 (3)	Ca1^xvii—Cu2—Ca1	116.921 (8)
Cu1^iv—Ba1—O1^vi	85.404 (8)	Ca1^i—Cu2—Ca1^ii	116.921 (8)
Cu1^iv—Ba1—Ca1	128.514 (4)	Ca1^i—Cu2—Ca1	74.120 (9)
Cu1^iv—Ba1—Al1	67.185 (8)	Ca1^ii—Cu2—Ca1	74.120 (9)
Cu1^iv—Ba1—Al1^iii	102.972 (9)	Ba1^xvii—O1—Ba1^i	89.051 (10)
Cu1^iv—Ba1—Al1^iv	0.0 (5)	Ba1^xvii—O1—Ba1^ii	89.051 (10)
Cu1^iv—Ba1—Al1^vi	67.185 (8)	Ba1^xvii—O1—Ba1	165.213 (2)
Cu1^vi—Ba1—Cu2	177.68	Ba1^xvii—O1—Cu1	97.3936 (12)
Cu1^vi—Ba1—Cu2^iii	111.572 (8)	Ba1^i—O1—Ba1^ii	165.213 (2)
Cu1^vi—Ba1—Cu2^iv	111.572 (8)	Ba1^i—O1—Ba1	89.051 (10)
Cu1^vi—Ba1—Cu2^vi	74.703 (9)	Ba1^i—O1—Cu1	97.3936 (12)
Cu1^vi—Ba1—O1	134.092 (6)	Ba1^ii—O1—Ba1	89.051 (10)
Cu1^vi—Ba1—O1^iii	85.404 (8)	Ba1^ii—O1—Cu1	97.3936 (12)
Cu1^vi—Ba1—O1^iv	85.404 (8)	Ba1—O1—Cu1	97.3936 (12)
Cu1^vi—Ba1—O1^vi	31.120 (3)	Y1^ii—O2—Y1	106.924 (10)
Cu1^vi—Ba1—Ca1	128.514 (4)	Y1^ii—O2—Cu2	94.3012 (11)
Cu1^vi—Ba1—Al1	102.972 (9)	Y1^ii—O2—Cu2^iv	94.3012 (11)
Cu1^vi—Ba1—Al1^iii	67.185 (8)	Y1^ii—O2—Ca1^ii	0.0 (5)
Cu1^vi—Ba1—Al1^iv	67.185 (8)	Y1^ii—O2—Ca1	106.924 (10)
Cu1^vi—Ba1—Al1^vi	0.0 (5)	Y1—O2—Cu2	94.3012 (11)
Cu2—Ba1—Cu2^iii	69.596 (9)	Y1—O2—Cu2^iv	94.3012 (11)
Cu2—Ba1—Cu2^iv	69.596 (9)	Y1—O2—Ca1^ii	106.924 (10)
Cu2—Ba1—Cu2^vi	107.622 (9)	Y1—O2—Ca1	0.0 (5)
Cu2—Ba1—O1	43.583 (5)	Cu2—O2—Cu2^iv	165.526 (3)
Cu2—Ba1—O1^iii	94.358 (9)	Cu2—O2—Ca1^ii	94.3012 (11)
Cu2—Ba1—O1^iv	94.358 (9)	Cu2—O2—Ca1	94.3012 (11)
Cu2—Ba1—O1^vi	151.204 (3)	Cu2^iv—O2—Ca1^ii	94.3012 (11)
Cu2—Ba1—Ca1	53.811 (4)	Cu2^iv—O2—Ca1	94.3012 (11)
Cu2—Ba1—Al1	74.703 (9)	Ca1^ii—O2—Ca1	106.924 (10)
Cu2—Ba1—Al1^iii	111.572 (8)	Cu1—O3—Cu1^iii	180.0 (5)
Cu2—Ba1—Al1^iv	111.572 (8)	Ba1—Ca1—Ba1^ix	180.0 (5)
Cu2—Ba1—Al1^vi	177.68	Ba1—Ca1—Y1^i	90
Cu2^iii—Ba1—Cu2^iv	107.622 (9)	Ba1—Ca1—Y1^ii	90
Cu2^iii—Ba1—Cu2^vi	69.596 (9)	Ba1—Ca1—Y1	0
Cu2^iii—Ba1—O1	94.358 (9)	Ba1—Ca1—Y1^iii	90
Cu2^iii—Ba1—O1^iii	43.583 (5)	Ba1—Ca1—Y1^iv	90
Cu2^iii—Ba1—O1^iv	151.204 (3)	Ba1—Ca1—Cu2	58.461 (4)
Cu2^iii—Ba1—O1^vi	94.358 (9)	Ba1—Ca1—Cu2^iii	58.461 (4)
Cu2^iii—Ba1—Ca1	53.811 (4)	Ba1—Ca1—Cu2^iv	58.461 (4)
Cu2^iii—Ba1—Al1	111.572 (8)	Ba1—Ca1—Cu2^vi	58.461 (4)
Cu2^iii—Ba1—Al1^iii	74.703 (9)	Ba1—Ca1—Cu2^vii	121.539 (4)
Cu2^iii—Ba1—Al1^iv	177.68	Ba1—Ca1—Cu2^viii	121.539 (4)
Cu2^iii—Ba1—Al1^vi	111.572 (8)	Ba1—Ca1—Cu2^ix	121.539 (4)
Cu2^iv—Ba1—Cu2^vi	69.596 (9)	Ba1—Ca1—Cu2^x	121.539 (4)
Cu2^iv—Ba1—O1	94.358 (9)	Ba1—Ca1—O2	53.462 (5)
Cu2^iv—Ba1—O1^iii	151.204 (3)	Ba1—Ca1—O2^iii	53.462 (5)
Cu2^iv—Ba1—O1^iv	43.583 (5)	Ba1—Ca1—O2^xi	53.462 (5)
Cu2^iv—Ba1—O1^vi	94.358 (9)	Ba1—Ca1—O2^xii	53.462 (5)
Cu2^iv—Ba1—Ca1	53.811 (4)	Ba1—Ca1—O2^ix	126.538 (5)
Cu2^iv—Ba1—Al1	111.572 (8)	Ba1—Ca1—O2^x	126.538 (5)
Cu2^iv—Ba1—Al1^iii	177.68	Ba1—Ca1—O2^xiii	126.538 (5)
Cu2^iv—Ba1—Al1^iv	74.703 (9)	Ba1—Ca1—O2^xiv	126.538 (5)
Cu2^iv—Ba1—Al1^vi	111.572 (8)	Ba1—Ca1—Ca1^i	90
Cu2^vi—Ba1—O1	151.204 (3)	Ba1—Ca1—Ca1^ii	90
Cu2^vi—Ba1—O1^iii	94.358 (9)	Ba1—Ca1—Ca1^iii	90
Cu2^vi—Ba1—O1^iv	94.358 (9)	Ba1—Ca1—Ca1^iv	90
Cu2^vi—Ba1—O1^vi	43.583 (5)	Ba1^ix—Ca1—Y1^i	90
Cu2^vi—Ba1—Ca1	53.811 (4)	Ba1^ix—Ca1—Y1^ii	90
Cu2^vi—Ba1—Al1	177.68	Ba1^ix—Ca1—Y1	0
Cu2^vi—Ba1—Al1^iii	111.572 (8)	Ba1^ix—Ca1—Y1^iii	90
Cu2^vi—Ba1—Al1^iv	111.572 (8)	Ba1^ix—Ca1—Y1^iv	90
Cu2^vi—Ba1—Al1^vi	74.703 (9)	Ba1^ix—Ca1—Cu2	121.539 (4)
O1—Ba1—O1^iii	89.051 (10)	Ba1^ix—Ca1—Cu2^iii	121.539 (4)
O1—Ba1—O1^iv	89.051 (10)	Ba1^ix—Ca1—Cu2^iv	121.539 (4)
O1—Ba1—O1^vi	165.213 (2)	Ba1^ix—Ca1—Cu2^vi	121.539 (4)
O1—Ba1—Ca1	97.3936 (12)	Ba1^ix—Ca1—Cu2^vii	58.461 (4)
O1—Ba1—Al1	31.120 (3)	Ba1^ix—Ca1—Cu2^viii	58.461 (4)
O1—Ba1—Al1^iii	85.404 (8)	Ba1^ix—Ca1—Cu2^ix	58.461 (4)
O1—Ba1—Al1^iv	85.404 (8)	Ba1^ix—Ca1—Cu2^x	58.461 (4)
O1—Ba1—Al1^vi	134.092 (6)	Ba1^ix—Ca1—O2	126.538 (5)
O1^iii—Ba1—O1^iv	165.213 (2)	Ba1^ix—Ca1—O2^iii	126.538 (5)
O1^iii—Ba1—O1^vi	89.051 (10)	Ba1^ix—Ca1—O2^xi	126.538 (5)
O1^iii—Ba1—Ca1	97.3936 (12)	Ba1^ix—Ca1—O2^xii	126.538 (5)
O1^iii—Ba1—Al1	85.404 (8)	Ba1^ix—Ca1—O2^ix	53.462 (5)
O1^iii—Ba1—Al1^iii	31.120 (3)	Ba1^ix—Ca1—O2^x	53.462 (5)
O1^iii—Ba1—Al1^iv	134.092 (6)	Ba1^ix—Ca1—O2^xiii	53.462 (5)
O1^iii—Ba1—Al1^vi	85.404 (8)	Ba1^ix—Ca1—O2^xiv	53.462 (5)
O1^iv—Ba1—O1^vi	89.051 (10)	Ba1^ix—Ca1—Ca1^i	90
O1^iv—Ba1—Ca1	97.3936 (12)	Ba1^ix—Ca1—Ca1^ii	90
O1^iv—Ba1—Al1	85.404 (8)	Ba1^ix—Ca1—Ca1^iii	90
O1^iv—Ba1—Al1^iii	134.092 (6)	Ba1^ix—Ca1—Ca1^iv	90
O1^iv—Ba1—Al1^iv	31.120 (3)	Y1^i—Ca1—Y1^ii	90
O1^iv—Ba1—Al1^vi	85.404 (8)	Y1^i—Ca1—Y1	0
O1^vi—Ba1—Ca1	97.3936 (12)	Y1^i—Ca1—Y1^iii	90
O1^vi—Ba1—Al1	134.092 (6)	Y1^i—Ca1—Y1^iv	180.0 (5)
O1^vi—Ba1—Al1^iii	85.404 (8)	Y1^i—Ca1—Cu2	52.940 (4)
O1^vi—Ba1—Al1^iv	85.404 (8)	Y1^i—Ca1—Cu2^iii	52.940 (4)
O1^vi—Ba1—Al1^vi	31.120 (3)	Y1^i—Ca1—Cu2^iv	127.060 (4)
Ca1—Ba1—Al1	128.514 (4)	Y1^i—Ca1—Cu2^vi	127.060 (4)
Ca1—Ba1—Al1^iii	128.514 (4)	Y1^i—Ca1—Cu2^vii	52.940 (4)
Ca1—Ba1—Al1^iv	128.514 (4)	Y1^i—Ca1—Cu2^viii	52.940 (4)
Ca1—Ba1—Al1^vi	128.514 (4)	Y1^i—Ca1—Cu2^ix	127.060 (4)
Al1—Ba1—Al1^iii	67.185 (8)	Y1^i—Ca1—Cu2^x	127.060 (4)
Al1—Ba1—Al1^iv	67.185 (8)	Y1^i—Ca1—O2	90
Al1—Ba1—Al1^vi	102.972 (9)	Y1^i—Ca1—O2^iii	90
Al1^iii—Ba1—Al1^iv	102.972 (9)	Y1^i—Ca1—O2^xi	36.538 (5)
Al1^iii—Ba1—Al1^vi	67.185 (8)	Y1^i—Ca1—O2^xii	143.462 (5)
Al1^iv—Ba1—Al1^vi	67.185 (8)	Y1^i—Ca1—O2^ix	90
Ba1—Y1—Ba1^ix	180.0 (5)	Y1^i—Ca1—O2^x	90
Ba1—Y1—Cu2	58.461 (4)	Y1^i—Ca1—O2^xiii	36.538 (5)
Ba1—Y1—Cu2^iii	58.461 (4)	Y1^i—Ca1—O2^xiv	143.462 (5)
Ba1—Y1—Cu2^iv	58.461 (4)	Y1^i—Ca1—Ca1^i	0.0 (5)
Ba1—Y1—Cu2^vi	58.461 (4)	Y1^i—Ca1—Ca1^ii	90
Ba1—Y1—Cu2^vii	121.539 (4)	Y1^i—Ca1—Ca1^iii	90
Ba1—Y1—Cu2^viii	121.539 (4)	Y1^i—Ca1—Ca1^iv	180.0 (5)
Ba1—Y1—Cu2^ix	121.539 (4)	Y1^ii—Ca1—Y1	0
Ba1—Y1—Cu2^x	121.539 (4)	Y1^ii—Ca1—Y1^iii	180.0 (5)
Ba1—Y1—O2	53.462 (5)	Y1^ii—Ca1—Y1^iv	90
Ba1—Y1—O2^iii	53.462 (5)	Y1^ii—Ca1—Cu2	52.940 (4)
Ba1—Y1—O2^xi	53.462 (5)	Y1^ii—Ca1—Cu2^iii	127.060 (4)
Ba1—Y1—O2^xii	53.462 (5)	Y1^ii—Ca1—Cu2^iv	52.940 (4)
Ba1—Y1—O2^ix	126.538 (5)	Y1^ii—Ca1—Cu2^vi	127.060 (4)
Ba1—Y1—O2^x	126.538 (5)	Y1^ii—Ca1—Cu2^vii	52.940 (4)
Ba1—Y1—O2^xiii	126.538 (5)	Y1^ii—Ca1—Cu2^viii	127.060 (4)
Ba1—Y1—O2^xiv	126.538 (5)	Y1^ii—Ca1—Cu2^ix	52.940 (4)
Ba1—Y1—Ca1^i	90	Y1^ii—Ca1—Cu2^x	127.060 (4)
Ba1—Y1—Ca1^ii	90	Y1^ii—Ca1—O2	36.538 (5)
Ba1—Y1—Ca1	0	Y1^ii—Ca1—O2^iii	143.462 (5)
Ba1—Y1—Ca1^iii	90	Y1^ii—Ca1—O2^xi	90
Ba1—Y1—Ca1^iv	90	Y1^ii—Ca1—O2^xii	90
Ba1^ix—Y1—Cu2	121.539 (4)	Y1^ii—Ca1—O2^ix	36.538 (5)
Ba1^ix—Y1—Cu2^iii	121.539 (4)	Y1^ii—Ca1—O2^x	143.462 (5)
Ba1^ix—Y1—Cu2^iv	121.539 (4)	Y1^ii—Ca1—O2^xiii	90
Ba1^ix—Y1—Cu2^vi	121.539 (4)	Y1^ii—Ca1—O2^xiv	90
Ba1^ix—Y1—Cu2^vii	58.461 (4)	Y1^ii—Ca1—Ca1^i	90
Ba1^ix—Y1—Cu2^viii	58.461 (4)	Y1^ii—Ca1—Ca1^ii	0.0 (5)
Ba1^ix—Y1—Cu2^ix	58.461 (4)	Y1^ii—Ca1—Ca1^iii	180.0 (5)
Ba1^ix—Y1—Cu2^x	58.461 (4)	Y1^ii—Ca1—Ca1^iv	90
Ba1^ix—Y1—O2	126.538 (5)	Y1—Ca1—Y1^iii	0
Ba1^ix—Y1—O2^iii	126.538 (5)	Y1—Ca1—Y1^iv	0
Ba1^ix—Y1—O2^xi	126.538 (5)	Y1—Ca1—Cu2	0
Ba1^ix—Y1—O2^xii	126.538 (5)	Y1—Ca1—Cu2^iii	0
Ba1^ix—Y1—O2^ix	53.462 (5)	Y1—Ca1—Cu2^iv	0
Ba1^ix—Y1—O2^x	53.462 (5)	Y1—Ca1—Cu2^vi	0
Ba1^ix—Y1—O2^xiii	53.462 (5)	Y1—Ca1—Cu2^vii	0
Ba1^ix—Y1—O2^xiv	53.462 (5)	Y1—Ca1—Cu2^viii	0
Ba1^ix—Y1—Ca1^i	90	Y1—Ca1—Cu2^ix	0
Ba1^ix—Y1—Ca1^ii	90	Y1—Ca1—Cu2^x	0
Ba1^ix—Y1—Ca1	0	Y1—Ca1—O2	0
Ba1^ix—Y1—Ca1^iii	90	Y1—Ca1—O2^iii	0
Ba1^ix—Y1—Ca1^iv	90	Y1—Ca1—O2^xi	0
Cu2—Y1—Cu2^iii	74.120 (9)	Y1—Ca1—O2^xii	0
Cu2—Y1—Cu2^iv	74.120 (9)	Y1—Ca1—O2^ix	0
Cu2—Y1—Cu2^vi	116.921 (8)	Y1—Ca1—O2^x	0
Cu2—Y1—Cu2^vii	63.079 (8)	Y1—Ca1—O2^xiii	0
Cu2—Y1—Cu2^viii	105.880 (9)	Y1—Ca1—O2^xiv	0
Cu2—Y1—Cu2^ix	105.880 (9)	Y1—Ca1—Ca1^i	0
Cu2—Y1—Cu2^x	180.0 (5)	Y1—Ca1—Ca1^ii	0
Cu2—Y1—O2	37.285 (4)	Y1—Ca1—Ca1^iii	0
Cu2—Y1—O2^iii	99.950 (8)	Y1—Ca1—Ca1^iv	0
Cu2—Y1—O2^xi	37.285 (4)	Y1^iii—Ca1—Y1^iv	90
Cu2—Y1—O2^xii	99.950 (8)	Y1^iii—Ca1—Cu2	127.060 (4)
Cu2—Y1—O2^ix	80.050 (8)	Y1^iii—Ca1—Cu2^iii	52.940 (4)
Cu2—Y1—O2^x	142.715 (4)	Y1^iii—Ca1—Cu2^iv	127.060 (4)
Cu2—Y1—O2^xiii	80.050 (8)	Y1^iii—Ca1—Cu2^vi	52.940 (4)
Cu2—Y1—O2^xiv	142.715 (4)	Y1^iii—Ca1—Cu2^vii	127.060 (4)
Cu2—Y1—Ca1^i	52.940 (4)	Y1^iii—Ca1—Cu2^viii	52.940 (4)
Cu2—Y1—Ca1^ii	52.940 (4)	Y1^iii—Ca1—Cu2^ix	127.060 (4)
Cu2—Y1—Ca1	0	Y1^iii—Ca1—Cu2^x	52.940 (4)
Cu2—Y1—Ca1^iii	127.060 (4)	Y1^iii—Ca1—O2	143.462 (5)
Cu2—Y1—Ca1^iv	127.060 (4)	Y1^iii—Ca1—O2^iii	36.538 (5)
Cu2^iii—Y1—Cu2^iv	116.921 (8)	Y1^iii—Ca1—O2^xi	90
Cu2^iii—Y1—Cu2^vi	74.120 (9)	Y1^iii—Ca1—O2^xii	90
Cu2^iii—Y1—Cu2^vii	105.880 (9)	Y1^iii—Ca1—O2^ix	143.462 (5)
Cu2^iii—Y1—Cu2^viii	63.079 (8)	Y1^iii—Ca1—O2^x	36.538 (5)
Cu2^iii—Y1—Cu2^ix	180.0 (5)	Y1^iii—Ca1—O2^xiii	90
Cu2^iii—Y1—Cu2^x	105.880 (9)	Y1^iii—Ca1—O2^xiv	90
Cu2^iii—Y1—O2	99.950 (8)	Y1^iii—Ca1—Ca1^i	90
Cu2^iii—Y1—O2^iii	37.285 (4)	Y1^iii—Ca1—Ca1^ii	180.0 (5)
Cu2^iii—Y1—O2^xi	37.285 (4)	Y1^iii—Ca1—Ca1^iii	0.0 (5)
Cu2^iii—Y1—O2^xii	99.950 (8)	Y1^iii—Ca1—Ca1^iv	90
Cu2^iii—Y1—O2^ix	142.715 (4)	Y1^iv—Ca1—Cu2	127.060 (4)
Cu2^iii—Y1—O2^x	80.050 (8)	Y1^iv—Ca1—Cu2^iii	127.060 (4)
Cu2^iii—Y1—O2^xiii	80.050 (8)	Y1^iv—Ca1—Cu2^iv	52.940 (4)
Cu2^iii—Y1—O2^xiv	142.715 (4)	Y1^iv—Ca1—Cu2^vi	52.940 (4)
Cu2^iii—Y1—Ca1^i	52.940 (4)	Y1^iv—Ca1—Cu2^vii	127.060 (4)
Cu2^iii—Y1—Ca1^ii	127.060 (4)	Y1^iv—Ca1—Cu2^viii	127.060 (4)
Cu2^iii—Y1—Ca1	0	Y1^iv—Ca1—Cu2^ix	52.940 (4)
Cu2^iii—Y1—Ca1^iii	52.940 (4)	Y1^iv—Ca1—Cu2^x	52.940 (4)
Cu2^iii—Y1—Ca1^iv	127.060 (4)	Y1^iv—Ca1—O2	90
Cu2^iv—Y1—Cu2^vi	74.120 (9)	Y1^iv—Ca1—O2^iii	90
Cu2^iv—Y1—Cu2^vii	105.880 (9)	Y1^iv—Ca1—O2^xi	143.462 (5)
Cu2^iv—Y1—Cu2^viii	180.0 (5)	Y1^iv—Ca1—O2^xii	36.538 (5)
Cu2^iv—Y1—Cu2^ix	63.079 (8)	Y1^iv—Ca1—O2^ix	90
Cu2^iv—Y1—Cu2^x	105.880 (9)	Y1^iv—Ca1—O2^x	90
Cu2^iv—Y1—O2	37.285 (4)	Y1^iv—Ca1—O2^xiii	143.462 (5)
Cu2^iv—Y1—O2^iii	99.950 (8)	Y1^iv—Ca1—O2^xiv	36.538 (5)
Cu2^iv—Y1—O2^xi	99.950 (8)	Y1^iv—Ca1—Ca1^i	180.0 (5)
Cu2^iv—Y1—O2^xii	37.285 (4)	Y1^iv—Ca1—Ca1^ii	90
Cu2^iv—Y1—O2^ix	80.050 (8)	Y1^iv—Ca1—Ca1^iii	90
Cu2^iv—Y1—O2^x	142.715 (4)	Y1^iv—Ca1—Ca1^iv	0.0 (5)
Cu2^iv—Y1—O2^xiii	142.715 (4)	Cu2—Ca1—Cu2^iii	74.120 (9)
Cu2^iv—Y1—O2^xiv	80.050 (8)	Cu2—Ca1—Cu2^iv	74.120 (9)
Cu2^iv—Y1—Ca1^i	127.060 (4)	Cu2—Ca1—Cu2^vi	116.921 (8)
Cu2^iv—Y1—Ca1^ii	52.940 (4)	Cu2—Ca1—Cu2^vii	63.079 (8)
Cu2^iv—Y1—Ca1	0	Cu2—Ca1—Cu2^viii	105.880 (9)
Cu2^iv—Y1—Ca1^iii	127.060 (4)	Cu2—Ca1—Cu2^ix	105.880 (9)
Cu2^iv—Y1—Ca1^iv	52.940 (4)	Cu2—Ca1—Cu2^x	180.0 (5)
Cu2^vi—Y1—Cu2^vii	180.0 (5)	Cu2—Ca1—O2	37.285 (4)
Cu2^vi—Y1—Cu2^viii	105.880 (9)	Cu2—Ca1—O2^iii	99.950 (8)
Cu2^vi—Y1—Cu2^ix	105.880 (9)	Cu2—Ca1—O2^xi	37.285 (4)
Cu2^vi—Y1—Cu2^x	63.079 (8)	Cu2—Ca1—O2^xii	99.950 (8)
Cu2^vi—Y1—O2	99.950 (8)	Cu2—Ca1—O2^ix	80.050 (8)
Cu2^vi—Y1—O2^iii	37.285 (4)	Cu2—Ca1—O2^x	142.715 (4)
Cu2^vi—Y1—O2^xi	99.950 (8)	Cu2—Ca1—O2^xiii	80.050 (8)
Cu2^vi—Y1—O2^xii	37.285 (4)	Cu2—Ca1—O2^xiv	142.715 (4)
Cu2^vi—Y1—O2^ix	142.715 (4)	Cu2—Ca1—Ca1^i	52.940 (4)
Cu2^vi—Y1—O2^x	80.050 (8)	Cu2—Ca1—Ca1^ii	52.940 (4)
Cu2^vi—Y1—O2^xiii	142.715 (4)	Cu2—Ca1—Ca1^iii	127.060 (4)
Cu2^vi—Y1—O2^xiv	80.050 (8)	Cu2—Ca1—Ca1^iv	127.060 (4)
Cu2^vi—Y1—Ca1^i	127.060 (4)	Cu2^iii—Ca1—Cu2^iv	116.921 (8)
Cu2^vi—Y1—Ca1^ii	127.060 (4)	Cu2^iii—Ca1—Cu2^vi	74.120 (9)
Cu2^vi—Y1—Ca1	0	Cu2^iii—Ca1—Cu2^vii	105.880 (9)
Cu2^vi—Y1—Ca1^iii	52.940 (4)	Cu2^iii—Ca1—Cu2^viii	63.079 (8)
Cu2^vi—Y1—Ca1^iv	52.940 (4)	Cu2^iii—Ca1—Cu2^ix	180.0 (5)
Cu2^vii—Y1—Cu2^viii	74.120 (9)	Cu2^iii—Ca1—Cu2^x	105.880 (9)
Cu2^vii—Y1—Cu2^ix	74.120 (9)	Cu2^iii—Ca1—O2	99.950 (8)
Cu2^vii—Y1—Cu2^x	116.921 (8)	Cu2^iii—Ca1—O2^iii	37.285 (4)
Cu2^vii—Y1—O2	80.050 (8)	Cu2^iii—Ca1—O2^xi	37.285 (4)
Cu2^vii—Y1—O2^iii	142.715 (4)	Cu2^iii—Ca1—O2^xii	99.950 (8)
Cu2^vii—Y1—O2^xi	80.050 (8)	Cu2^iii—Ca1—O2^ix	142.715 (4)
Cu2^vii—Y1—O2^xii	142.715 (4)	Cu2^iii—Ca1—O2^x	80.050 (8)
Cu2^vii—Y1—O2^ix	37.285 (4)	Cu2^iii—Ca1—O2^xiii	80.050 (8)
Cu2^vii—Y1—O2^x	99.950 (8)	Cu2^iii—Ca1—O2^xiv	142.715 (4)
Cu2^vii—Y1—O2^xiii	37.285 (4)	Cu2^iii—Ca1—Ca1^i	52.940 (4)
Cu2^vii—Y1—O2^xiv	99.950 (8)	Cu2^iii—Ca1—Ca1^ii	127.060 (4)
Cu2^vii—Y1—Ca1^i	52.940 (4)	Cu2^iii—Ca1—Ca1^iii	52.940 (4)
Cu2^vii—Y1—Ca1^ii	52.940 (4)	Cu2^iii—Ca1—Ca1^iv	127.060 (4)
Cu2^vii—Y1—Ca1	0	Cu2^iv—Ca1—Cu2^vi	74.120 (9)
Cu2^vii—Y1—Ca1^iii	127.060 (4)	Cu2^iv—Ca1—Cu2^vii	105.880 (9)
Cu2^vii—Y1—Ca1^iv	127.060 (4)	Cu2^iv—Ca1—Cu2^viii	180.0 (5)
Cu2^viii—Y1—Cu2^ix	116.921 (8)	Cu2^iv—Ca1—Cu2^ix	63.079 (8)
Cu2^viii—Y1—Cu2^x	74.120 (9)	Cu2^iv—Ca1—Cu2^x	105.880 (9)
Cu2^viii—Y1—O2	142.715 (4)	Cu2^iv—Ca1—O2	37.285 (4)
Cu2^viii—Y1—O2^iii	80.050 (8)	Cu2^iv—Ca1—O2^iii	99.950 (8)
Cu2^viii—Y1—O2^xi	80.050 (8)	Cu2^iv—Ca1—O2^xi	99.950 (8)
Cu2^viii—Y1—O2^xii	142.715 (4)	Cu2^iv—Ca1—O2^xii	37.285 (4)
Cu2^viii—Y1—O2^ix	99.950 (8)	Cu2^iv—Ca1—O2^ix	80.050 (8)
Cu2^viii—Y1—O2^x	37.285 (4)	Cu2^iv—Ca1—O2^x	142.715 (4)
Cu2^viii—Y1—O2^xiii	37.285 (4)	Cu2^iv—Ca1—O2^xiii	142.715 (4)
Cu2^viii—Y1—O2^xiv	99.950 (8)	Cu2^iv—Ca1—O2^xiv	80.050 (8)
Cu2^viii—Y1—Ca1^i	52.940 (4)	Cu2^iv—Ca1—Ca1^i	127.060 (4)
Cu2^viii—Y1—Ca1^ii	127.060 (4)	Cu2^iv—Ca1—Ca1^ii	52.940 (4)
Cu2^viii—Y1—Ca1	0	Cu2^iv—Ca1—Ca1^iii	127.060 (4)
Cu2^viii—Y1—Ca1^iii	52.940 (4)	Cu2^iv—Ca1—Ca1^iv	52.940 (4)
Cu2^viii—Y1—Ca1^iv	127.060 (4)	Cu2^vi—Ca1—Cu2^vii	180.0 (5)
Cu2^ix—Y1—Cu2^x	74.120 (9)	Cu2^vi—Ca1—Cu2^viii	105.880 (9)
Cu2^ix—Y1—O2	80.050 (8)	Cu2^vi—Ca1—Cu2^ix	105.880 (9)
Cu2^ix—Y1—O2^iii	142.715 (4)	Cu2^vi—Ca1—Cu2^x	63.079 (8)
Cu2^ix—Y1—O2^xi	142.715 (4)	Cu2^vi—Ca1—O2	99.950 (8)
Cu2^ix—Y1—O2^xii	80.050 (8)	Cu2^vi—Ca1—O2^iii	37.285 (4)
Cu2^ix—Y1—O2^ix	37.285 (4)	Cu2^vi—Ca1—O2^xi	99.950 (8)
Cu2^ix—Y1—O2^x	99.950 (8)	Cu2^vi—Ca1—O2^xii	37.285 (4)
Cu2^ix—Y1—O2^xiii	99.950 (8)	Cu2^vi—Ca1—O2^ix	142.715 (4)
Cu2^ix—Y1—O2^xiv	37.285 (4)	Cu2^vi—Ca1—O2^x	80.050 (8)
Cu2^ix—Y1—Ca1^i	127.060 (4)	Cu2^vi—Ca1—O2^xiii	142.715 (4)
Cu2^ix—Y1—Ca1^ii	52.940 (4)	Cu2^vi—Ca1—O2^xiv	80.050 (8)
Cu2^ix—Y1—Ca1	0	Cu2^vi—Ca1—Ca1^i	127.060 (4)
Cu2^ix—Y1—Ca1^iii	127.060 (4)	Cu2^vi—Ca1—Ca1^ii	127.060 (4)
Cu2^ix—Y1—Ca1^iv	52.940 (4)	Cu2^vi—Ca1—Ca1^iii	52.940 (4)
Cu2^x—Y1—O2	142.715 (4)	Cu2^vi—Ca1—Ca1^iv	52.940 (4)
Cu2^x—Y1—O2^iii	80.050 (8)	Cu2^vii—Ca1—Cu2^viii	74.120 (9)
Cu2^x—Y1—O2^xi	142.715 (4)	Cu2^vii—Ca1—Cu2^ix	74.120 (9)
Cu2^x—Y1—O2^xii	80.050 (8)	Cu2^vii—Ca1—Cu2^x	116.921 (8)
Cu2^x—Y1—O2^ix	99.950 (8)	Cu2^vii—Ca1—O2	80.050 (8)
Cu2^x—Y1—O2^x	37.285 (4)	Cu2^vii—Ca1—O2^iii	142.715 (4)
Cu2^x—Y1—O2^xiii	99.950 (8)	Cu2^vii—Ca1—O2^xi	80.050 (8)
Cu2^x—Y1—O2^xiv	37.285 (4)	Cu2^vii—Ca1—O2^xii	142.715 (4)
Cu2^x—Y1—Ca1^i	127.060 (4)	Cu2^vii—Ca1—O2^ix	37.285 (4)
Cu2^x—Y1—Ca1^ii	127.060 (4)	Cu2^vii—Ca1—O2^x	99.950 (8)
Cu2^x—Y1—Ca1	0	Cu2^vii—Ca1—O2^xiii	37.285 (4)
Cu2^x—Y1—Ca1^iii	52.940 (4)	Cu2^vii—Ca1—O2^xiv	99.950 (8)
Cu2^x—Y1—Ca1^iv	52.940 (4)	Cu2^vii—Ca1—Ca1^i	52.940 (4)
O2—Y1—O2^iii	106.924 (10)	Cu2^vii—Ca1—Ca1^ii	52.940 (4)
O2—Y1—O2^xi	69.240 (4)	Cu2^vii—Ca1—Ca1^iii	127.060 (4)
O2—Y1—O2^xii	69.240 (4)	Cu2^vii—Ca1—Ca1^iv	127.060 (4)
O2—Y1—O2^ix	73.076 (10)	Cu2^viii—Ca1—Cu2^ix	116.921 (8)
O2—Y1—O2^x	180.0 (5)	Cu2^viii—Ca1—Cu2^x	74.120 (9)
O2—Y1—O2^xiii	110.760 (4)	Cu2^viii—Ca1—O2	142.715 (4)
O2—Y1—O2^xiv	110.760 (4)	Cu2^viii—Ca1—O2^iii	80.050 (8)
O2—Y1—Ca1^i	90	Cu2^viii—Ca1—O2^xi	80.050 (8)
O2—Y1—Ca1^ii	36.538 (5)	Cu2^viii—Ca1—O2^xii	142.715 (4)
O2—Y1—Ca1	0	Cu2^viii—Ca1—O2^ix	99.950 (8)
O2—Y1—Ca1^iii	143.462 (5)	Cu2^viii—Ca1—O2^x	37.285 (4)
O2—Y1—Ca1^iv	90	Cu2^viii—Ca1—O2^xiii	37.285 (4)
O2^iii—Y1—O2^xi	69.240 (4)	Cu2^viii—Ca1—O2^xiv	99.950 (8)
O2^iii—Y1—O2^xii	69.240 (4)	Cu2^viii—Ca1—Ca1^i	52.940 (4)
O2^iii—Y1—O2^ix	180.0 (5)	Cu2^viii—Ca1—Ca1^ii	127.060 (4)
O2^iii—Y1—O2^x	73.076 (10)	Cu2^viii—Ca1—Ca1^iii	52.940 (4)
O2^iii—Y1—O2^xiii	110.760 (4)	Cu2^viii—Ca1—Ca1^iv	127.060 (4)
O2^iii—Y1—O2^xiv	110.760 (4)	Cu2^ix—Ca1—Cu2^x	74.120 (9)
O2^iii—Y1—Ca1^i	90	Cu2^ix—Ca1—O2	80.050 (8)
O2^iii—Y1—Ca1^ii	143.462 (5)	Cu2^ix—Ca1—O2^iii	142.715 (4)
O2^iii—Y1—Ca1	0	Cu2^ix—Ca1—O2^xi	142.715 (4)
O2^iii—Y1—Ca1^iii	36.538 (5)	Cu2^ix—Ca1—O2^xii	80.050 (8)
O2^iii—Y1—Ca1^iv	90	Cu2^ix—Ca1—O2^ix	37.285 (4)
O2^xi—Y1—O2^xii	106.924 (10)	Cu2^ix—Ca1—O2^x	99.950 (8)
O2^xi—Y1—O2^ix	110.760 (4)	Cu2^ix—Ca1—O2^xiii	99.950 (8)
O2^xi—Y1—O2^x	110.760 (4)	Cu2^ix—Ca1—O2^xiv	37.285 (4)
O2^xi—Y1—O2^xiii	73.076 (10)	Cu2^ix—Ca1—Ca1^i	127.060 (4)
O2^xi—Y1—O2^xiv	180.0 (5)	Cu2^ix—Ca1—Ca1^ii	52.940 (4)
O2^xi—Y1—Ca1^i	36.538 (5)	Cu2^ix—Ca1—Ca1^iii	127.060 (4)
O2^xi—Y1—Ca1^ii	90	Cu2^ix—Ca1—Ca1^iv	52.940 (4)
O2^xi—Y1—Ca1	0	Cu2^x—Ca1—O2	142.715 (4)
O2^xi—Y1—Ca1^iii	90	Cu2^x—Ca1—O2^iii	80.050 (8)
O2^xi—Y1—Ca1^iv	143.462 (5)	Cu2^x—Ca1—O2^xi	142.715 (4)
O2^xii—Y1—O2^ix	110.760 (4)	Cu2^x—Ca1—O2^xii	80.050 (8)
O2^xii—Y1—O2^x	110.760 (4)	Cu2^x—Ca1—O2^ix	99.950 (8)
O2^xii—Y1—O2^xiii	180.0 (5)	Cu2^x—Ca1—O2^x	37.285 (4)
O2^xii—Y1—O2^xiv	73.076 (10)	Cu2^x—Ca1—O2^xiii	99.950 (8)
O2^xii—Y1—Ca1^i	143.462 (5)	Cu2^x—Ca1—O2^xiv	37.285 (4)
O2^xii—Y1—Ca1^ii	90	Cu2^x—Ca1—Ca1^i	127.060 (4)
O2^xii—Y1—Ca1	0	Cu2^x—Ca1—Ca1^ii	127.060 (4)
O2^xii—Y1—Ca1^iii	90	Cu2^x—Ca1—Ca1^iii	52.940 (4)
O2^xii—Y1—Ca1^iv	36.538 (5)	Cu2^x—Ca1—Ca1^iv	52.940 (4)
O2^ix—Y1—O2^x	106.924 (10)	O2—Ca1—O2^iii	106.924 (10)
O2^ix—Y1—O2^xiii	69.240 (4)	O2—Ca1—O2^xi	69.240 (4)
O2^ix—Y1—O2^xiv	69.240 (4)	O2—Ca1—O2^xii	69.240 (4)
O2^ix—Y1—Ca1^i	90	O2—Ca1—O2^ix	73.076 (10)
O2^ix—Y1—Ca1^ii	36.538 (5)	O2—Ca1—O2^x	180.0 (5)
O2^ix—Y1—Ca1	0	O2—Ca1—O2^xiii	110.760 (4)
O2^ix—Y1—Ca1^iii	143.462 (5)	O2—Ca1—O2^xiv	110.760 (4)
O2^ix—Y1—Ca1^iv	90	O2—Ca1—Ca1^i	90
O2^x—Y1—O2^xiii	69.240 (4)	O2—Ca1—Ca1^ii	36.538 (5)
O2^x—Y1—O2^xiv	69.240 (4)	O2—Ca1—Ca1^iii	143.462 (5)
O2^x—Y1—Ca1^i	90	O2—Ca1—Ca1^iv	90
O2^x—Y1—Ca1^ii	143.462 (5)	O2^iii—Ca1—O2^xi	69.240 (4)
O2^x—Y1—Ca1	0	O2^iii—Ca1—O2^xii	69.240 (4)
O2^x—Y1—Ca1^iii	36.538 (5)	O2^iii—Ca1—O2^ix	180.0 (5)
O2^x—Y1—Ca1^iv	90	O2^iii—Ca1—O2^x	73.076 (10)
O2^xiii—Y1—O2^xiv	106.924 (10)	O2^iii—Ca1—O2^xiii	110.760 (4)
O2^xiii—Y1—Ca1^i	36.538 (5)	O2^iii—Ca1—O2^xiv	110.760 (4)
O2^xiii—Y1—Ca1^ii	90	O2^iii—Ca1—Ca1^i	90
O2^xiii—Y1—Ca1	0	O2^iii—Ca1—Ca1^ii	143.462 (5)
O2^xiii—Y1—Ca1^iii	90	O2^iii—Ca1—Ca1^iii	36.538 (5)
O2^xiii—Y1—Ca1^iv	143.462 (5)	O2^iii—Ca1—Ca1^iv	90
O2^xiv—Y1—Ca1^i	143.462 (5)	O2^xi—Ca1—O2^xii	106.924 (10)
O2^xiv—Y1—Ca1^ii	90	O2^xi—Ca1—O2^ix	110.760 (4)
O2^xiv—Y1—Ca1	0	O2^xi—Ca1—O2^x	110.760 (4)
O2^xiv—Y1—Ca1^iii	90	O2^xi—Ca1—O2^xiii	73.076 (10)
O2^xiv—Y1—Ca1^iv	36.538 (5)	O2^xi—Ca1—O2^xiv	180.0 (5)
Ca1^i—Y1—Ca1^ii	90	O2^xi—Ca1—Ca1^i	36.538 (5)
Ca1^i—Y1—Ca1	0	O2^xi—Ca1—Ca1^ii	90
Ca1^i—Y1—Ca1^iii	90	O2^xi—Ca1—Ca1^iii	90
Ca1^i—Y1—Ca1^iv	180.0 (5)	O2^xi—Ca1—Ca1^iv	143.462 (5)
Ca1^ii—Y1—Ca1	0	O2^xii—Ca1—O2^ix	110.760 (4)
Ca1^ii—Y1—Ca1^iii	180.0 (5)	O2^xii—Ca1—O2^x	110.760 (4)
Ca1^ii—Y1—Ca1^iv	90	O2^xii—Ca1—O2^xiii	180.0 (5)
Ca1—Y1—Ca1^iii	0	O2^xii—Ca1—O2^xiv	73.076 (10)
Ca1—Y1—Ca1^iv	0	O2^xii—Ca1—Ca1^i	143.462 (5)
Ca1^iii—Y1—Ca1^iv	90	O2^xii—Ca1—Ca1^ii	90
Ba1^xvii—Cu1—Ba1^i	67.185 (8)	O2^xii—Ca1—Ca1^iii	90
Ba1^xvii—Cu1—Ba1^ii	67.185 (8)	O2^xii—Ca1—Ca1^iv	36.538 (5)
Ba1^xvii—Cu1—Ba1	102.972 (9)	O2^ix—Ca1—O2^x	106.924 (10)
Ba1^xvii—Cu1—Ba1^xviii	77.028 (9)	O2^ix—Ca1—O2^xiii	69.240 (4)
Ba1^xvii—Cu1—Ba1^xv	112.815 (8)	O2^ix—Ca1—O2^xiv	69.240 (4)
Ba1^xvii—Cu1—Ba1^xix	112.815 (8)	O2^ix—Ca1—Ca1^i	90
Ba1^xvii—Cu1—Ba1^v	180.0 (5)	O2^ix—Ca1—Ca1^ii	36.538 (5)
Ba1^xvii—Cu1—O1	51.486 (4)	O2^ix—Ca1—Ca1^iii	143.462 (5)
Ba1^xvii—Cu1—O1^xv	128.514 (4)	O2^ix—Ca1—Ca1^iv	90
Ba1^xvii—Cu1—O3^ii	56.408 (4)	O2^x—Ca1—O2^xiii	69.240 (4)
Ba1^xvii—Cu1—O3	123.592 (4)	O2^x—Ca1—O2^xiv	69.240 (4)
Ba1^xvii—Cu1—O3^xi	56.408 (4)	O2^x—Ca1—Ca1^i	90
Ba1^xvii—Cu1—O3^xii	123.592 (4)	O2^x—Ca1—Ca1^ii	143.462 (5)
Ba1^xvii—Cu1—Al1	0	O2^x—Ca1—Ca1^iii	36.538 (5)
Ba1^i—Cu1—Ba1^ii	102.972 (9)	O2^x—Ca1—Ca1^iv	90
Ba1^i—Cu1—Ba1	67.185 (8)	O2^xiii—Ca1—O2^xiv	106.924 (10)
Ba1^i—Cu1—Ba1^xviii	112.815 (8)	O2^xiii—Ca1—Ca1^i	36.538 (5)
Ba1^i—Cu1—Ba1^xv	77.028 (9)	O2^xiii—Ca1—Ca1^ii	90
Ba1^i—Cu1—Ba1^xix	180.0 (5)	O2^xiii—Ca1—Ca1^iii	90
Ba1^i—Cu1—Ba1^v	112.815 (8)	O2^xiii—Ca1—Ca1^iv	143.462 (5)
Ba1^i—Cu1—O1	51.486 (4)	O2^xiv—Ca1—Ca1^i	143.462 (5)
Ba1^i—Cu1—O1^xv	128.514 (4)	O2^xiv—Ca1—Ca1^ii	90
Ba1^i—Cu1—O3^ii	123.592 (4)	O2^xiv—Ca1—Ca1^iii	90
Ba1^i—Cu1—O3	56.408 (4)	O2^xiv—Ca1—Ca1^iv	36.538 (5)
Ba1^i—Cu1—O3^xi	56.408 (4)	Ca1^i—Ca1—Ca1^ii	90
Ba1^i—Cu1—O3^xii	123.592 (4)	Ca1^i—Ca1—Ca1^iii	90
Ba1^i—Cu1—Al1	0	Ca1^i—Ca1—Ca1^iv	180.0 (5)
Ba1^ii—Cu1—Ba1	67.185 (8)	Ca1^ii—Ca1—Ca1^iii	180.0 (5)
Ba1^ii—Cu1—Ba1^xviii	112.815 (8)	Ca1^ii—Ca1—Ca1^iv	90
Ba1^ii—Cu1—Ba1^xv	180.0 (5)	Ca1^iii—Ca1—Ca1^iv	90
Ba1^ii—Cu1—Ba1^xix	77.028 (9)	Ba1^xvii—Al1—Ba1^i	67.185 (8)
Ba1^ii—Cu1—Ba1^v	112.815 (8)	Ba1^xvii—Al1—Ba1^ii	67.185 (8)
Ba1^ii—Cu1—O1	51.486 (4)	Ba1^xvii—Al1—Ba1	102.972 (9)
Ba1^ii—Cu1—O1^xv	128.514 (4)	Ba1^xvii—Al1—Ba1^xviii	77.028 (9)
Ba1^ii—Cu1—O3^ii	56.408 (4)	Ba1^xvii—Al1—Ba1^xv	112.815 (8)
Ba1^ii—Cu1—O3	123.592 (4)	Ba1^xvii—Al1—Ba1^xix	112.815 (8)
Ba1^ii—Cu1—O3^xi	123.592 (4)	Ba1^xvii—Al1—Ba1^v	180.0 (5)
Ba1^ii—Cu1—O3^xii	56.408 (4)	Ba1^xvii—Al1—Cu1	0
Ba1^ii—Cu1—Al1	0	Ba1^i—Al1—Ba1^ii	102.972 (9)
Ba1—Cu1—Ba1^xviii	180.0 (5)	Ba1^i—Al1—Ba1	67.185 (8)
Ba1—Cu1—Ba1^xv	112.815 (8)	Ba1^i—Al1—Ba1^xviii	112.815 (8)
Ba1—Cu1—Ba1^xix	112.815 (8)	Ba1^i—Al1—Ba1^xv	77.028 (9)
Ba1—Cu1—Ba1^v	77.028 (9)	Ba1^i—Al1—Ba1^xix	180.0 (5)
Ba1—Cu1—O1	51.486 (4)	Ba1^i—Al1—Ba1^v	112.815 (8)
Ba1—Cu1—O1^xv	128.514 (4)	Ba1^i—Al1—Cu1	0
Ba1—Cu1—O3^ii	123.592 (4)	Ba1^ii—Al1—Ba1	67.185 (8)
Ba1—Cu1—O3	56.408 (4)	Ba1^ii—Al1—Ba1^xviii	112.815 (8)
Ba1—Cu1—O3^xi	123.592 (4)	Ba1^ii—Al1—Ba1^xv	180.0 (5)
Ba1—Cu1—O3^xii	56.408 (4)	Ba1^ii—Al1—Ba1^xix	77.028 (9)
Ba1—Cu1—Al1	0	Ba1^ii—Al1—Ba1^v	112.815 (8)
Ba1^xviii—Cu1—Ba1^xv	67.185 (8)	Ba1^ii—Al1—Cu1	0
Ba1^xviii—Cu1—Ba1^xix	67.185 (8)	Ba1—Al1—Ba1^xviii	180.0 (5)
Ba1^xviii—Cu1—Ba1^v	102.972 (9)	Ba1—Al1—Ba1^xv	112.815 (8)
Ba1^xviii—Cu1—O1	128.514 (4)	Ba1—Al1—Ba1^xix	112.815 (8)
Ba1^xviii—Cu1—O1^xv	51.486 (4)	Ba1—Al1—Ba1^v	77.028 (9)
Ba1^xviii—Cu1—O3^ii	56.408 (4)	Ba1—Al1—Cu1	0
Ba1^xviii—Cu1—O3	123.592 (4)	Ba1^xviii—Al1—Ba1^xv	67.185 (8)
Ba1^xviii—Cu1—O3^xi	56.408 (4)	Ba1^xviii—Al1—Ba1^xix	67.185 (8)
Ba1^xviii—Cu1—O3^xii	123.592 (4)	Ba1^xviii—Al1—Ba1^v	102.972 (9)
Ba1^xviii—Cu1—Al1	0	Ba1^xviii—Al1—Cu1	0
Ba1^xv—Cu1—Ba1^xix	102.972 (9)	Ba1^xv—Al1—Ba1^xix	102.972 (9)
Ba1^xv—Cu1—Ba1^v	67.185 (8)	Ba1^xv—Al1—Ba1^v	67.185 (8)
Ba1^xv—Cu1—O1	128.514 (4)	Ba1^xv—Al1—Cu1	0
Ba1^xv—Cu1—O1^xv	51.486 (4)	Ba1^xix—Al1—Ba1^v	67.185 (8)
Ba1^xv—Cu1—O3^ii	123.592 (4)	Ba1^xix—Al1—Cu1	0
Ba1^xv—Cu1—O3	56.408 (4)	Ba1^v—Al1—Cu1	0

Symmetry codes: (i) x−1, y, z; (ii) x, y−1, z; (iii) x, y+1, z; (iv) x+1, y, z; (v) −x+1, y, −z; (vi) x+1, y+1, z; (vii) −x, y, −z+1; (viii) −x, y+1, −z+1; (ix) −x+1, y, −z+1; (x) −x+1, y+1, −z+1; (xi) −y, x, z; (xii) −y+1, x, z; (xiii) y, x, −z+1; (xiv) y+1, x, −z+1; (xv) −x, y, −z; (xvi) −y, x−1, z; (xvii) x−1, y−1, z; (xviii) −x, y−1, −z; (xix) −x+1, y−1, −z.