Crystal structure of Re-substituted lanthanum tungstate La_5.4W_1−yRe_yO_12–δ (0 ≤ y ≤ 0.2) studied by neutron diffraction

A precise determination of sample composition and water uptake of La_6−xWO_12−δ (0.4 ≤ x ≤ 0.8) and Re-substituted La_5.4W_1−yRe_yO_12−δ (0 ≤ y ≤ 0.2) lanthanum tungstate is carried out. Sample compositions and water uptake were determined by electron probe micro-analysis and thermogravimetry, respectively. A single-phase region of Re-substituted lanthanum tungstates is reported. The crystal structure of two selected specimens produced by the citrate-complexation route based on the Pechini method, namely La_5.4WO_12−δ and La_5.4W_0.8Re_0.2O_12−δ, was investigated by neutron diffraction in the temperature range 1.5 ≤ T ≤ 1200 K. The structural model for lanthanum tungstates is validated, according to which the Wyckoff site shared by La and W ( space group, 24d site) is split with half-site occupancies ( space group, 48h site). Replacement of W by up to 20 mol% Re does not change the lattice structure, and Re atoms substitute for W statistically in both 4a and 48h Wyckoff sites of the space group, as shown by combining the average neutron scattering length procedure, thermogravimetry and electron probe micro-analysis. Using the Willis and Pryor approach to anisotropic displacement parameters it is shown that the remaining static disorder in the unit cell found in La_5.4WO_12−δ and La_5.4W_0.8Re_0.2O_12−δ structures is comparable, when the space group with split 48h site is employed. Through the estimation of the Debye temperature for both compounds, extracted from the analysis of thermal expansion coefficients and from the Willis and Pryor approach, anion anharmonic vibrations like those in yttria-stabilized zirconia are proven to exist in LaWO for the first time.

Computing details

Program(s) used to solve structure: GSAS; program(s) used to refine structure: GSAS.

Re-substituted lanthanum tungstate

Crystal data

O23.54W3.41Re0.59·La3.96O30.94·La23.33·W0.38·Re0.29	Dx = 6.568 Mg m^−3
Mr = 5523.05	Neutron radiation, λ = 1.5939 Å
Cubic, Fm3m	µ = 0.02 mm^−1
Hall symbol: -F 4 2 3	T = 5 K
a = 11.17701 (6) Å	orange
V = 1396.29 (2) Å^3	cylinder, 40 × 6 mm
Z = 1	Specimen preparation: Prepared at 1773 K
F(000) = 567.05

Data collection

D2B diffractometer	Scan method: step
Radiation source: nuclear reactor, ILL	Absorption correction: for a cylinder mounted on the φ axis GSAS Absorption/surface roughness correction: function number 0 Debye-Scherrer absorption correction Term (= MU.r/wave) = 0.31000E-01 Correction is not refined.
Ge 335 monochromator	Tmin = 0.920, Tmax = 0.921
Specimen mounting: vanadium can	2θmin = −0.247°, 2θmax = 159.703°, 2θstep = 0.05°
Data collection mode: transmission

Refinement

Refinement on F^2	21 parameters
Least-squares matrix: full	0 restraints
Rp = 0.043	22 constraints
Rwp = 0.056	Primary atom site location: other
Rexp = 0.036	Secondary atom site location: other
R(F^2) = 0.03355	(Δ/σ)max = 0.01
2799 data points	Background function: GSAS Background function number 1 with 30 terms. Shifted Chebyshev function of 1st kind 1: 60.4451 2: 7.18889 3: 0.117172 4: -0.482156 5: 2.44963 6: -0.491119 7: 2.12067 8: -2.60627 9: 0.974877 10: 3.47499 11: -1.13520 12: -1.75503 13: 2.24027 14: 0.260042 15: -0.282107 16: 0.739996 17: -0.696987 18: 0.175211 19: 0.369606 20: -0.648279 21: 0.794143 22: 1.02310 23: -0.511332 24: 0.132828 25: 8.650010E-0226: -0.162568 27: 0.553504 28: -5.841490E-02 29: -0.298689 30: 0.811771
Excluded region(s): <10° and >150°	Preferred orientation correction: none
Profile function: CW Profile function number 3 with 19 terms Pseudovoigt profile coefficients as parameterized in P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83. Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994). J. Appl. Cryst.,27,892-900. #1(GU) = 63.424 #2(GV) = -117.996 #3(GW) = 119.224 #4(GP) = 0.000 #5(LX) = 3.144 #6(LY) = 0.000 #7(S/L) = 0.0008 #8(H/L) = 0.0612 #9(trns) = 0.00 #10(shft)= 0.0000 #11(stec)= 0.00 #12(ptec)= 0.00 #13(sfec)= 0.00 #14(L11) = 0.000 #15(L22) = 0.000 #16(L33) = 0.000 #17(L12) = 0.000 #18(L13) = 0.000 #19(L23) = 0.000 Peak tails are ignored where the intensity is below 0.0010 times the peak Aniso. broadening axis 0.0 0.0 1.0

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
La1	0.5	0.5	0.5	0.0082 (10)*	0.990 (14)
La2	0.0	0.2355 (2)	0.2355 (2)	0.00707	0.486
W1	0.0	0.0	0.0	0.0035 (14)*	0.854 (24)
O1	0.1122 (2)	0.1122 (2)	0.0649 (3)	0.01564	0.2452 (34)
O2	0.36650 (11)	0.36650 (11)	0.36650 (11)	0.01357	0.967 (5)
W2	0.0	0.2355 (2)	0.2355 (2)	0.00707	0.008 (5)
Re1	0.0	0.0	0.0	0.0035 (14)*	0.146 (24)
Re2	0.0	0.2355 (2)	0.2355 (2)	0.00707	0.006 (5)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La2	0.0066 (11)	0.0073 (16)	0.0073 (16)	0.0	0.0	0.0026 (14)
O1	0.0105 (17)	0.0105 (17)	0.026 (3)	−0.0019 (9)	−0.0038 (10)	−0.0038 (10)
O2	0.0136 (4)	0.0136 (4)	0.0136 (4)	0.0007 (4)	0.0007 (4)	0.0007 (4)
W2	0.0066 (11)	0.0073 (16)	0.0073 (16)	0.0	0.0	0.0026 (14)
Re2	0.0066 (11)	0.0073 (16)	0.0073 (16)	0.0	0.0	0.0026 (14)

Geometric parameters (Å, º)

La1—La2^i	3.9583 (2)	O1—La2^xli	3.074 (4)
La1—La2^ii	3.9583 (2)	O1—La2^xliv	2.515 (4)
La1—La2^iii	3.9583 (2)	O1—W1	1.916 (3)
La1—La2^iv	3.9583 (2)	O1—O1^xxxiv	0.747 (5)
La1—La2^v	3.9583 (2)	O1—O1^xxxv	0.747 (5)
La1—La2^vi	3.9583 (2)	O1—O1^liii	1.451 (6)
La1—La2^vii	3.9583 (2)	O1—O1^xxxvi	2.049 (4)
La1—La2^viii	3.9583 (2)	O1—O1^liv	2.049 (4)
La1—La2^ix	3.9583 (2)	O1—O1^lxviii	2.049 (4)
La1—La2^x	3.9583 (2)	O1—O1^lxx	2.049 (4)
La1—La2^xi	3.9583 (2)	O1—W2	2.666 (4)
La1—La2^xii	3.9583 (2)	O1—W2^xxxiv	2.666 (4)
La1—La2^xiii	3.9583 (2)	O1—W2^xxxv	2.080 (5)
La1—La2^xiv	3.9583 (2)	O1—W2^xliv	2.515 (4)
La1—La2^xv	3.9583 (2)	O1—Re1	1.916 (3)
La1—La2^xvi	3.9583 (2)	O1—Re2	2.666 (4)
La1—La2^xvii	3.9583 (2)	O1—Re2^xxxiv	2.666 (4)
La1—La2^xviii	3.9583 (2)	O1—Re2^xxxv	2.080 (5)
La1—La2^xix	3.9583 (2)	O1—Re2^xliv	2.515 (4)
La1—La2^xx	3.9583 (2)	O2—La1	2.584 (2)
La1—La2^xxi	3.9583 (2)	O2—La2^iv	2.3812 (8)
La1—La2^xxii	3.9583 (2)	O2—La2^vii	2.3812 (8)
La1—La2^xxiii	3.9583 (2)	O2—La2^xi	2.3812 (8)
La1—La2^xxiv	3.9583 (2)	O2—La2^xv	2.3812 (8)
La1—O2	2.584 (2)	O2—La2^xx	2.3812 (8)
La1—O2^xxv	2.584 (2)	O2—La2^xxiv	2.3812 (8)
La1—O2^xxvi	2.584 (2)	O2—W2^iv	2.3812 (8)
La1—O2^xxvii	2.584 (2)	O2—W2^vii	2.3812 (8)
La1—O2^xxviii	2.584 (2)	O2—W2^xi	2.3812 (8)
La1—O2^xxix	2.584 (2)	O2—W2^xv	2.3812 (8)
La1—O2^xxx	2.584 (2)	O2—W2^xx	2.3812 (8)
La1—O2^xxxi	2.584 (2)	O2—W2^xxiv	2.3812 (8)
La2—La1^xxxii	3.9583 (2)	O2—Re2^iv	2.3812 (8)
La2—La1^xxxiii	3.9583 (2)	O2—Re2^vii	2.3812 (8)
La2—La2^xxxiv	3.722 (4)	O2—Re2^xi	2.3812 (8)
La2—La2^xxxv	3.722 (4)	O2—Re2^xv	2.3812 (8)
La2—La2^xxxvi	3.722 (4)	O2—Re2^xx	2.3812 (8)
La2—La2^xxxvii	3.722 (4)	O2—Re2^xxiv	2.3812 (8)
La2—La2^iv	3.9716 (6)	W2—La2^xl	0.459 (7)
La2—La2^xxxviii	3.9716 (6)	W2—O1	2.666 (4)
La2—La2^xxxix	3.9716 (6)	W2—O1^xxxiv	2.080 (5)
La2—La2^xl	0.459 (7)	W2—O1^xxxv	2.666 (4)
La2—La2^vii	3.9716 (6)	W2—O1^xxxvi	2.080 (5)
La2—La2^xli	3.9716 (6)	W2—O1^xlv	2.666 (4)
La2—La2^xlii	3.9716 (6)	W2—O1^xlvi	2.666 (4)
La2—La2^xliii	3.9716 (6)	W2—O1^xlix	2.515 (4)
La2—La2^xliv	3.9716 (6)	W2—O1^li	2.515 (4)
La2—O1	2.666 (4)	W2—O2^lii	2.3812 (8)
La2—O1^xxxiv	2.080 (5)	W2—O2^xli	2.3812 (8)
La2—O1^xxxv	2.666 (4)	W2—O2^xliii	2.3812 (8)
La2—O1^xxxvi	2.080 (5)	W2—O2^xliv	2.3812 (8)
La2—O1^xlv	2.666 (4)	W2—W2^xl	0.459 (7)
La2—O1^xlvi	2.666 (4)	W2—Re2^xl	0.459 (7)
La2—O1^xlvii	3.074 (4)	Re1—O1	1.916 (3)
La2—O1^xl	3.074 (4)	Re1—O1^xxxiv	1.916 (3)
La2—O1^xlviii	3.074 (4)	Re1—O1^xxxv	1.916 (3)
La2—O1^xlix	2.515 (4)	Re1—O1^liii	1.916 (3)
La2—O1^l	3.074 (4)	Re1—O1^xxxvi	1.916 (3)
La2—O1^li	2.515 (4)	Re1—O1^liv	1.916 (3)
La2—O2^lii	2.3812 (8)	Re1—O1^lv	1.916 (3)
La2—O2^xli	2.3812 (8)	Re1—O1^lvi	1.916 (3)
La2—O2^xliii	2.3812 (8)	Re1—O1^lvii	1.916 (3)
La2—O2^xliv	2.3812 (8)	Re1—O1^lviii	1.916 (3)
La2—W2^xl	0.459 (7)	Re1—O1^lix	1.916 (3)
La2—Re2^xl	0.459 (7)	Re1—O1^lx	1.916 (3)
W1—O1	1.916 (3)	Re1—O1^lxi	1.916 (3)
W1—O1^xxxiv	1.916 (3)	Re1—O1^lxii	1.916 (3)
W1—O1^xxxv	1.916 (3)	Re1—O1^lxiii	1.916 (3)
W1—O1^liii	1.916 (3)	Re1—O1^lxiv	1.916 (3)
W1—O1^xxxvi	1.916 (3)	Re1—O1^lxv	1.916 (3)
W1—O1^liv	1.916 (3)	Re1—O1^lxvi	1.916 (3)
W1—O1^lv	1.916 (3)	Re1—O1^lxvii	1.916 (3)
W1—O1^lvi	1.916 (3)	Re1—O1^lxviii	1.916 (3)
W1—O1^lvii	1.916 (3)	Re1—O1^xlv	1.916 (3)
W1—O1^lviii	1.916 (3)	Re1—O1^lxix	1.916 (3)
W1—O1^lix	1.916 (3)	Re1—O1^lxx	1.916 (3)
W1—O1^lx	1.916 (3)	Re1—O1^xlvi	1.916 (3)
W1—O1^lxi	1.916 (3)	Re2—La2^xl	0.459 (7)
W1—O1^lxii	1.916 (3)	Re2—O1	2.666 (4)
W1—O1^lxiii	1.916 (3)	Re2—O1^xxxiv	2.080 (5)
W1—O1^lxiv	1.916 (3)	Re2—O1^xxxv	2.666 (4)
W1—O1^lxv	1.916 (3)	Re2—O1^xxxvi	2.080 (5)
W1—O1^lxvi	1.916 (3)	Re2—O1^xlv	2.666 (4)
W1—O1^lxvii	1.916 (3)	Re2—O1^xlvi	2.666 (4)
W1—O1^lxviii	1.916 (3)	Re2—O1^xlix	2.515 (4)
W1—O1^xlv	1.916 (3)	Re2—O1^li	2.515 (4)
W1—O1^lxix	1.916 (3)	Re2—O2^lii	2.3812 (8)
W1—O1^lxx	1.916 (3)	Re2—O2^xli	2.3812 (8)
W1—O1^xlvi	1.916 (3)	Re2—O2^xliii	2.3812 (8)
O1—La2	2.666 (4)	Re2—O2^xliv	2.3812 (8)
O1—La2^xxxiv	2.666 (4)	Re2—W2^xl	0.459 (7)
O1—La2^xxxv	2.080 (5)	Re2—Re2^xl	0.459 (7)
O1—La2^xl	3.074 (4)
O2—La1—O2^xxv	70.5288 (4)	O1^lxii—W1—O1^lxvii	98.25 (7)
O2—La1—O2^xxvi	70.5288 (2)	O1^lxii—W1—O1^lxviii	93.86 (13)
O2—La1—O2^xxvii	70.5288 (2)	O1^lxii—W1—O1^xlv	115.36 (4)
O2—La1—O2^xxviii	109.4712 (2)	O1^lxii—W1—O1^lxix	93.86 (13)
O2—La1—O2^xxix	109.4712 (4)	O1^lxii—W1—O1^lxx	98.25 (7)
O2—La1—O2^xxx	109.4712 (2)	O1^lxii—W1—O1^xlvi	115.36 (4)
O2—La1—O2^xxxi	180.0	O1^lxiii—W1—O1^lxiv	64.64 (4)
O2^xxv—La1—O2^xxvi	109.4712 (2)	O1^lxiii—W1—O1^lxv	64.64 (4)
O2^xxv—La1—O2^xxvii	109.4712 (2)	O1^lxiii—W1—O1^lxvi	44.51 (19)
O2^xxv—La1—O2^xxviii	70.5288 (2)	O1^lxiii—W1—O1^lxvii	115.36 (4)
O2^xxv—La1—O2^xxix	180.0	O1^lxiii—W1—O1^lxviii	98.25 (7)
O2^xxv—La1—O2^xxx	70.5288 (2)	O1^lxiii—W1—O1^xlv	98.25 (7)
O2^xxv—La1—O2^xxxi	109.4712 (4)	O1^lxiii—W1—O1^lxix	115.36 (4)
O2^xxvi—La1—O2^xxvii	109.4712 (4)	O1^lxiii—W1—O1^lxx	93.86 (13)
O2^xxvi—La1—O2^xxviii	70.5288 (4)	O1^lxiii—W1—O1^xlvi	93.86 (13)
O2^xxvi—La1—O2^xxix	70.5288 (2)	O1^lxiv—W1—O1^lxv	93.86 (13)
O2^xxvi—La1—O2^xxx	180.0	O1^lxiv—W1—O1^lxvi	93.86 (13)
O2^xxvi—La1—O2^xxxi	109.4712 (2)	O1^lxiv—W1—O1^lxvii	64.64 (4)
O2^xxvii—La1—O2^xxviii	180.0	O1^lxiv—W1—O1^lxviii	157.51 (16)
O2^xxvii—La1—O2^xxix	70.5288 (2)	O1^lxiv—W1—O1^xlv	64.64 (4)
O2^xxvii—La1—O2^xxx	70.5288 (4)	O1^lxiv—W1—O1^lxix	81.75 (7)
O2^xxvii—La1—O2^xxxi	109.4712 (2)	O1^lxiv—W1—O1^lxx	157.51 (16)
O2^xxviii—La1—O2^xxix	109.4712 (2)	O1^lxiv—W1—O1^xlvi	81.75 (7)
O2^xxviii—La1—O2^xxx	109.4712 (4)	O1^lxv—W1—O1^lxvi	93.86 (13)
O2^xxviii—La1—O2^xxxi	70.5288 (2)	O1^lxv—W1—O1^lxvii	81.75 (7)
O2^xxix—La1—O2^xxx	109.4712 (2)	O1^lxv—W1—O1^lxviii	64.64 (4)
O2^xxix—La1—O2^xxxi	70.5288 (4)	O1^lxv—W1—O1^xlv	157.51 (16)
O2^xxx—La1—O2^xxxi	70.5288 (2)	O1^lxv—W1—O1^lxix	64.64 (4)
La2^xxxiv—La2—La2^xxxv	60.0000 (1)	O1^lxv—W1—O1^lxx	81.75 (7)
La2^xxxiv—La2—La2^xxxvi	90.0	O1^lxv—W1—O1^xlvi	157.51 (16)
La2^xxxiv—La2—La2^xxxvii	120.0000 (1)	O1^lxvi—W1—O1^lxvii	157.51 (16)
La2^xxxiv—La2—La2^xl	120.0000 (1)	O1^lxvi—W1—O1^lxviii	81.75 (7)
La2^xxxiv—La2—O1	45.72 (5)	O1^lxvi—W1—O1^xlv	81.75 (7)
La2^xxxiv—La2—O1^xxxiv	44.33 (7)	O1^lxvi—W1—O1^lxix	157.51 (16)
La2^xxxiv—La2—O1^xxxv	33.04 (8)	O1^lxvi—W1—O1^lxx	64.64 (4)
La2^xxxiv—La2—O1^xxxvi	77.18 (8)	O1^lxvi—W1—O1^xlvi	64.64 (4)
La2^xxxiv—La2—O1^xlv	80.03 (6)	O1^lxvii—W1—O1^lxviii	115.36 (4)
La2^xxxiv—La2—O1^xlvi	88.11 (9)	O1^lxvii—W1—O1^xlv	93.86 (13)
La2^xxxiv—La2—O1^xlix	133.06 (6)	O1^lxvii—W1—O1^lxix	22.49 (16)
La2^xxxiv—La2—O1^li	105.95 (7)	O1^lxvii—W1—O1^lxx	135.49 (19)
La2^xxxiv—La2—O2^lii	151.39 (7)	O1^lxvii—W1—O1^xlvi	115.36 (4)
La2^xxxiv—La2—O2^xli	89.53 (7)	O1^lxviii—W1—O1^xlv	135.49 (19)
La2^xxxiv—La2—O2^xliii	96.00 (5)	O1^lxviii—W1—O1^lxix	93.86 (13)
La2^xxxiv—La2—O2^xliv	38.60 (9)	O1^lxviii—W1—O1^lxx	22.49 (16)
La2^xxxiv—La2—W2^xl	120.0000 (1)	O1^lxviii—W1—O1^xlvi	115.36 (4)
La2^xxxiv—La2—Re2^xl	120.0000 (1)	O1^xlv—W1—O1^lxix	115.36 (4)
La2^xxxv—La2—La2^xxxvi	120.0000 (1)	O1^xlv—W1—O1^lxx	115.36 (4)
La2^xxxv—La2—La2^xxxvii	90.0000 (4)	O1^xlv—W1—O1^xlvi	22.49 (16)
La2^xxxv—La2—La2^xl	120.0000 (3)	O1^lxix—W1—O1^lxx	115.36 (4)
La2^xxxv—La2—O1	33.04 (8)	O1^lxix—W1—O1^xlvi	135.49 (19)
La2^xxxv—La2—O1^xxxiv	44.33 (7)	O1^lxx—W1—O1^xlvi	93.86 (13)
La2^xxxv—La2—O1^xxxv	45.72 (5)	La2—O1—La2^xxxiv	88.56 (10)
La2^xxxv—La2—O1^xxxvi	77.18 (8)	La2—O1—La2^xxxv	102.63 (13)
La2^xxxv—La2—O1^xlv	88.11 (9)	La2—O1—La2^xliv	100.06 (10)
La2^xxxv—La2—O1^xlvi	80.03 (6)	La2—O1—W1	107.54 (12)
La2^xxxv—La2—O1^xlix	133.06 (6)	La2—O1—O1^xxxiv	33.04 (8)
La2^xxxv—La2—O1^li	105.95 (7)	La2—O1—O1^xxxv	81.94 (6)
La2^xxxv—La2—O2^lii	96.00 (5)	La2—O1—O1^liii	135.66 (5)
La2^xxxv—La2—O2^xli	38.60 (9)	La2—O1—W2^xxxv	102.63 (13)
La2^xxxv—La2—O2^xliii	151.39 (7)	La2—O1—Re1	107.54 (12)
La2^xxxv—La2—O2^xliv	89.53 (7)	La2—O1—Re2^xxxv	102.63 (13)
La2^xxxv—La2—W2^xl	120.0000 (3)	La2^xxxiv—O1—La2^xxxv	102.63 (13)
La2^xxxv—La2—Re2^xl	120.0000 (3)	La2^xxxiv—O1—La2^xliv	100.06 (10)
La2^xxxvi—La2—La2^xxxvii	60.0000 (1)	La2^xxxiv—O1—W1	107.54 (12)
La2^xxxvi—La2—La2^xl	120.0000 (1)	La2^xxxiv—O1—O1^xxxiv	81.94 (6)
La2^xxxvi—La2—O1	88.11 (9)	La2^xxxiv—O1—O1^xxxv	33.04 (8)
La2^xxxvi—La2—O1^xxxiv	77.18 (8)	La2^xxxiv—O1—O1^liii	135.66 (5)
La2^xxxvi—La2—O1^xxxv	80.03 (6)	La2^xxxiv—O1—W2^xxxv	102.63 (13)
La2^xxxvi—La2—O1^xxxvi	44.33 (7)	La2^xxxiv—O1—Re1	107.54 (12)
La2^xxxvi—La2—O1^xlv	33.04 (8)	La2^xxxiv—O1—Re2^xxxv	102.63 (13)
La2^xxxvi—La2—O1^xlvi	45.72 (5)	La2^xxxv—O1—La2^xliv	3.65 (6)
La2^xxxvi—La2—O1^xlix	105.95 (7)	La2^xxxv—O1—W1	137.33 (17)
La2^xxxvi—La2—O1^li	133.06 (6)	La2^xxxv—O1—O1^xxxiv	135.67 (7)
La2^xxxvi—La2—O2^lii	89.53 (7)	La2^xxxv—O1—O1^xxxv	135.67 (7)
La2^xxxvi—La2—O2^xli	151.39 (7)	La2^xxxv—O1—O1^liii	69.58 (10)
La2^xxxvi—La2—O2^xliii	38.60 (9)	La2^xxxv—O1—W2^xxxv	0.0
La2^xxxvi—La2—O2^xliv	96.00 (5)	La2^xxxv—O1—Re1	137.33 (17)
La2^xxxvi—La2—W2^xl	120.0000 (1)	La2^xxxv—O1—Re2^xxxv	0.0
La2^xxxvi—La2—Re2^xl	120.0000 (1)	La2^xliv—O1—W1	140.98 (16)
La2^xxxvii—La2—La2^xl	120.0000 (3)	La2^xliv—O1—O1^xxxiv	133.06 (6)
La2^xxxvii—La2—O1	80.03 (6)	La2^xliv—O1—O1^xxxv	133.06 (6)
La2^xxxvii—La2—O1^xxxiv	77.18 (8)	La2^xliv—O1—O1^liii	73.23 (8)
La2^xxxvii—La2—O1^xxxv	88.11 (9)	La2^xliv—O1—W2^xxxv	3.65 (6)
La2^xxxvii—La2—O1^xxxvi	44.33 (7)	La2^xliv—O1—Re1	140.98 (16)
La2^xxxvii—La2—O1^xlv	45.72 (5)	La2^xliv—O1—Re2^xxxv	3.65 (6)
La2^xxxvii—La2—O1^xlvi	33.04 (8)	W1—O1—O1^xxxiv	78.76 (8)
La2^xxxvii—La2—O1^xlix	105.95 (7)	W1—O1—O1^xxxv	78.76 (8)
La2^xxxvii—La2—O1^li	133.06 (6)	W1—O1—O1^liii	67.75 (9)
La2^xxxvii—La2—O2^lii	38.60 (9)	W1—O1—W2^xxxv	137.33 (17)
La2^xxxvii—La2—O2^xli	96.00 (5)	W1—O1—Re1	0.0
La2^xxxvii—La2—O2^xliii	89.53 (7)	W1—O1—Re2^xxxv	137.33 (17)
La2^xxxvii—La2—O2^xliv	151.39 (7)	O1^xxxiv—O1—O1^xxxv	60.0000 (3)
La2^xxxvii—La2—W2^xl	120.0000 (3)	O1^xxxiv—O1—O1^liii	135.0000 (2)
La2^xxxvii—La2—Re2^xl	120.0000 (3)	O1^xxxiv—O1—W2^xxxv	135.67 (7)
La2^xl—La2—O1	150.61 (9)	O1^xxxiv—O1—Re1	78.76 (8)
La2^xl—La2—O1^xxxiv	159.58 (10)	O1^xxxiv—O1—Re2^xxxv	135.67 (7)
La2^xl—La2—O1^xxxv	150.61 (9)	O1^xxxv—O1—O1^liii	135.0000 (2)
La2^xl—La2—O1^xxxvi	159.58 (10)	O1^xxxv—O1—W2^xxxv	135.67 (7)
La2^xl—La2—O1^xlv	150.61 (9)	O1^xxxv—O1—Re1	78.76 (8)
La2^xl—La2—O1^xlvi	150.61 (9)	O1^xxxv—O1—Re2^xxxv	135.67 (7)
La2^xl—La2—O1^xlix	16.77 (8)	O1^liii—O1—W2^xxxv	69.58 (10)
La2^xl—La2—O1^li	16.77 (8)	O1^liii—O1—Re1	67.75 (9)
La2^xl—La2—O2^lii	84.47 (8)	O1^liii—O1—Re2^xxxv	69.58 (10)
La2^xl—La2—O2^xli	84.47 (8)	W2^xxxv—O1—Re1	137.33 (17)
La2^xl—La2—O2^xliii	84.47 (8)	W2^xxxv—O1—Re2^xxxv	0.0
La2^xl—La2—O2^xliv	84.47 (8)	Re1—O1—Re2^xxxv	137.33 (17)
La2^xl—La2—W2^xl	0.0	La1—O2—La2^iv	105.65 (5)
La2^xl—La2—Re2^xl	0.0	La1—O2—La2^vii	105.65 (5)
O1—La2—O1^xxxiv	11.29 (8)	La1—O2—La2^xi	105.65 (5)
O1—La2—O1^xxxv	16.11 (11)	La1—O2—La2^xv	105.65 (5)
O1—La2—O1^xxxvi	49.27 (17)	La1—O2—La2^xx	105.65 (5)
O1—La2—O1^xlv	58.78 (17)	La1—O2—La2^xxiv	105.65 (5)
O1—La2—O1^xlvi	56.11 (16)	La2^iv—O2—La2^vii	102.81 (17)
O1—La2—O1^xlix	165.91 (11)	La2^iv—O2—La2^xi	113.01 (4)
O1—La2—O1^li	134.31 (13)	La2^iv—O2—La2^xv	11.06 (17)
O1—La2—O2^lii	105.68 (9)	La2^iv—O2—La2^xx	113.01 (4)
O1—La2—O2^xli	71.39 (7)	La2^iv—O2—La2^xxiv	122.79 (13)
O1—La2—O2^xliii	119.15 (14)	La2^vii—O2—La2^xi	122.79 (13)
O1—La2—O2^xliv	84.12 (9)	La2^vii—O2—La2^xv	113.01 (4)
O1—La2—W2^xl	150.61 (9)	La2^vii—O2—La2^xx	11.06 (17)
O1—La2—Re2^xl	150.61 (9)	La2^vii—O2—La2^xxiv	113.01 (4)
O1^xxxiv—La2—O1^xxxv	11.29 (8)	La2^xi—O2—La2^xv	102.81 (17)
O1^xxxiv—La2—O1^xxxvi	40.8 (2)	La2^xi—O2—La2^xx	113.01 (4)
O1^xxxiv—La2—O1^xlv	49.27 (17)	La2^xi—O2—La2^xxiv	11.06 (17)
O1^xxxiv—La2—O1^xlvi	49.27 (17)	La2^xv—O2—La2^xx	122.79 (13)
O1^xxxiv—La2—O1^xlix	176.35 (6)	La2^xv—O2—La2^xxiv	113.01 (4)
O1^xxxiv—La2—O1^li	142.81 (17)	La2^xx—O2—La2^xxiv	102.81 (17)
O1^xxxiv—La2—O2^lii	107.99 (11)	La2^xl—W2—O1^xxxiv	159.58 (10)
O1^xxxiv—La2—O2^xli	82.63 (9)	La2^xl—W2—O1^xxxvi	159.58 (10)
O1^xxxiv—La2—O2^xliii	107.99 (11)	La2^xl—W2—W2^xl	0.0
O1^xxxiv—La2—O2^xliv	82.63 (9)	La2^xl—W2—Re2^xl	0.0
O1^xxxiv—La2—W2^xl	159.58 (10)	O1^xxxiv—W2—O1^xxxvi	40.8 (2)
O1^xxxiv—La2—Re2^xl	159.58 (10)	O1^xxxiv—W2—W2^xl	159.58 (10)
O1^xxxv—La2—O1^xxxvi	49.27 (17)	O1^xxxiv—W2—Re2^xl	159.58 (10)
O1^xxxv—La2—O1^xlv	56.11 (16)	O1^xxxvi—W2—W2^xl	159.58 (10)
O1^xxxv—La2—O1^xlvi	58.78 (17)	O1^xxxvi—W2—Re2^xl	159.58 (10)
O1^xxxv—La2—O1^xlix	165.91 (11)	W2^xl—W2—Re2^xl	0.0
O1^xxxv—La2—O1^li	134.31 (13)	O1—Re1—O1^xxxiv	22.49 (16)
O1^xxxv—La2—O2^lii	119.15 (14)	O1—Re1—O1^xxxv	22.49 (16)
O1^xxxv—La2—O2^xli	84.12 (9)	O1—Re1—O1^liii	44.51 (19)
O1^xxxv—La2—O2^xliii	105.68 (9)	O1—Re1—O1^xxxvi	64.64 (4)
O1^xxxv—La2—O2^xliv	71.39 (7)	O1—Re1—O1^liv	64.64 (4)
O1^xxxv—La2—W2^xl	150.61 (9)	O1—Re1—O1^lv	93.86 (13)
O1^xxxv—La2—Re2^xl	150.61 (9)	O1—Re1—O1^lvi	115.36 (4)
O1^xxxvi—La2—O1^xlv	11.29 (8)	O1—Re1—O1^lvii	93.86 (13)
O1^xxxvi—La2—O1^xlvi	11.29 (8)	O1—Re1—O1^lviii	98.25 (7)
O1^xxxvi—La2—O1^xlix	142.81 (17)	O1—Re1—O1^lix	115.36 (4)
O1^xxxvi—La2—O1^li	176.35 (6)	O1—Re1—O1^lx	98.25 (7)
O1^xxxvi—La2—O2^lii	82.63 (9)	O1—Re1—O1^lxi	180.0
O1^xxxvi—La2—O2^xli	107.99 (11)	O1—Re1—O1^lxii	157.51 (16)
O1^xxxvi—La2—O2^xliii	82.63 (9)	O1—Re1—O1^lxiii	157.51 (16)
O1^xxxvi—La2—O2^xliv	107.99 (11)	O1—Re1—O1^lxiv	135.49 (19)
O1^xxxvi—La2—W2^xl	159.58 (10)	O1—Re1—O1^lxv	115.36 (4)
O1^xxxvi—La2—Re2^xl	159.58 (10)	O1—Re1—O1^lxvi	115.36 (4)
O1^xlv—La2—O1^xlvi	16.11 (11)	O1—Re1—O1^lxvii	86.14 (13)
O1^xlv—La2—O1^xlix	134.31 (13)	O1—Re1—O1^lxviii	64.64 (4)
O1^xlv—La2—O1^li	165.91 (11)	O1—Re1—O1^xlv	86.14 (13)
O1^xlv—La2—O2^lii	84.12 (9)	O1—Re1—O1^lxix	81.75 (7)
O1^xlv—La2—O2^xli	119.15 (14)	O1—Re1—O1^lxx	64.64 (4)
O1^xlv—La2—O2^xliii	71.39 (7)	O1—Re1—O1^xlvi	81.75 (7)
O1^xlv—La2—O2^xliv	105.68 (9)	O1^xxxiv—Re1—O1^xxxv	22.49 (16)
O1^xlv—La2—W2^xl	150.61 (9)	O1^xxxiv—Re1—O1^liii	64.64 (4)
O1^xlv—La2—Re2^xl	150.61 (9)	O1^xxxiv—Re1—O1^xxxvi	44.51 (19)
O1^xlvi—La2—O1^xlix	134.31 (13)	O1^xxxiv—Re1—O1^liv	64.64 (4)
O1^xlvi—La2—O1^li	165.91 (11)	O1^xxxiv—Re1—O1^lv	98.25 (7)
O1^xlvi—La2—O2^lii	71.39 (7)	O1^xxxiv—Re1—O1^lvi	93.86 (13)
O1^xlvi—La2—O2^xli	105.68 (9)	O1^xxxiv—Re1—O1^lvii	115.36 (4)
O1^xlvi—La2—O2^xliii	84.12 (9)	O1^xxxiv—Re1—O1^lviii	93.86 (13)
O1^xlvi—La2—O2^xliv	119.15 (14)	O1^xxxiv—Re1—O1^lix	98.25 (7)
O1^xlvi—La2—W2^xl	150.61 (9)	O1^xxxiv—Re1—O1^lx	115.36 (4)
O1^xlvi—La2—Re2^xl	150.61 (9)	O1^xxxiv—Re1—O1^lxi	157.51 (16)
O1^xlix—La2—O1^li	33.54 (16)	O1^xxxiv—Re1—O1^lxii	180.0
O1^xlix—La2—O2^lii	74.15 (8)	O1^xxxiv—Re1—O1^lxiii	157.51 (16)
O1^xlix—La2—O2^xli	95.08 (11)	O1^xxxiv—Re1—O1^lxiv	115.36 (4)
O1^xlix—La2—O2^xliii	74.15 (8)	O1^xxxiv—Re1—O1^lxv	135.49 (19)
O1^xlix—La2—O2^xliv	95.08 (11)	O1^xxxiv—Re1—O1^lxvi	115.36 (4)
O1^xlix—La2—W2^xl	16.77 (8)	O1^xxxiv—Re1—O1^lxvii	81.75 (7)
O1^xlix—La2—Re2^xl	16.77 (8)	O1^xxxiv—Re1—O1^lxviii	86.14 (13)
O1^li—La2—O2^lii	95.08 (11)	O1^xxxiv—Re1—O1^xlv	64.64 (4)
O1^li—La2—O2^xli	74.15 (8)	O1^xxxiv—Re1—O1^lxix	86.14 (13)
O1^li—La2—O2^xliii	95.08 (11)	O1^xxxiv—Re1—O1^lxx	81.75 (7)
O1^li—La2—O2^xliv	74.15 (8)	O1^xxxiv—Re1—O1^xlvi	64.64 (4)
O1^li—La2—W2^xl	16.77 (8)	O1^xxxv—Re1—O1^liii	64.64 (4)
O1^li—La2—Re2^xl	16.77 (8)	O1^xxxv—Re1—O1^xxxvi	64.64 (4)
O2^lii—La2—O2^xli	77.60 (10)	O1^xxxv—Re1—O1^liv	44.51 (19)
O2^lii—La2—O2^xliii	101.31 (9)	O1^xxxv—Re1—O1^lv	115.36 (4)
O2^lii—La2—O2^xliv	168.94 (17)	O1^xxxv—Re1—O1^lvi	98.25 (7)
O2^lii—La2—W2^xl	84.47 (8)	O1^xxxv—Re1—O1^lvii	98.25 (7)
O2^lii—La2—Re2^xl	84.47 (8)	O1^xxxv—Re1—O1^lviii	115.36 (4)
O2^xli—La2—O2^xliii	168.94 (17)	O1^xxxv—Re1—O1^lix	93.86 (13)
O2^xli—La2—O2^xliv	101.31 (9)	O1^xxxv—Re1—O1^lx	93.86 (13)
O2^xli—La2—W2^xl	84.47 (8)	O1^xxxv—Re1—O1^lxi	157.51 (16)
O2^xli—La2—Re2^xl	84.47 (8)	O1^xxxv—Re1—O1^lxii	157.51 (16)
O2^xliii—La2—O2^xliv	77.60 (10)	O1^xxxv—Re1—O1^lxiii	180.0
O2^xliii—La2—W2^xl	84.47 (8)	O1^xxxv—Re1—O1^lxiv	115.36 (4)
O2^xliii—La2—Re2^xl	84.47 (8)	O1^xxxv—Re1—O1^lxv	115.36 (4)
O2^xliv—La2—W2^xl	84.47 (8)	O1^xxxv—Re1—O1^lxvi	135.49 (19)
O2^xliv—La2—Re2^xl	84.47 (8)	O1^xxxv—Re1—O1^lxvii	64.64 (4)
W2^xl—La2—Re2^xl	0.0	O1^xxxv—Re1—O1^lxviii	81.75 (7)
O1—W1—O1^xxxiv	22.49 (16)	O1^xxxv—Re1—O1^xlv	81.75 (7)
O1—W1—O1^xxxv	22.49 (16)	O1^xxxv—Re1—O1^lxix	64.64 (4)
O1—W1—O1^liii	44.51 (19)	O1^xxxv—Re1—O1^lxx	86.14 (13)
O1—W1—O1^xxxvi	64.64 (4)	O1^xxxv—Re1—O1^xlvi	86.14 (13)
O1—W1—O1^liv	64.64 (4)	O1^liii—Re1—O1^xxxvi	93.86 (13)
O1—W1—O1^lv	93.86 (13)	O1^liii—Re1—O1^liv	93.86 (13)
O1—W1—O1^lvi	115.36 (4)	O1^liii—Re1—O1^lv	64.64 (4)
O1—W1—O1^lvii	93.86 (13)	O1^liii—Re1—O1^lvi	157.51 (16)
O1—W1—O1^lviii	98.25 (7)	O1^liii—Re1—O1^lvii	64.64 (4)
O1—W1—O1^lix	115.36 (4)	O1^liii—Re1—O1^lviii	81.75 (7)
O1—W1—O1^lx	98.25 (7)	O1^liii—Re1—O1^lix	157.51 (16)
O1—W1—O1^lxi	180.0	O1^liii—Re1—O1^lx	81.75 (7)
O1—W1—O1^lxii	157.51 (16)	O1^liii—Re1—O1^lxi	135.49 (19)
O1—W1—O1^lxiii	157.51 (16)	O1^liii—Re1—O1^lxii	115.36 (4)
O1—W1—O1^lxiv	135.49 (19)	O1^liii—Re1—O1^lxiii	115.36 (4)
O1—W1—O1^lxv	115.36 (4)	O1^liii—Re1—O1^lxiv	180.0
O1—W1—O1^lxvi	115.36 (4)	O1^liii—Re1—O1^lxv	86.14 (13)
O1—W1—O1^lxvii	86.14 (13)	O1^liii—Re1—O1^lxvi	86.14 (13)
O1—W1—O1^lxviii	64.64 (4)	O1^liii—Re1—O1^lxvii	115.36 (4)
O1—W1—O1^xlv	86.14 (13)	O1^liii—Re1—O1^lxviii	22.49 (16)
O1—W1—O1^lxix	81.75 (7)	O1^liii—Re1—O1^xlv	115.36 (4)
O1—W1—O1^lxx	64.64 (4)	O1^liii—Re1—O1^lxix	98.25 (7)
O1—W1—O1^xlvi	81.75 (7)	O1^liii—Re1—O1^lxx	22.49 (16)
O1^xxxiv—W1—O1^xxxv	22.49 (16)	O1^liii—Re1—O1^xlvi	98.25 (7)
O1^xxxiv—W1—O1^liii	64.64 (4)	O1^xxxvi—Re1—O1^liv	93.86 (13)
O1^xxxiv—W1—O1^xxxvi	44.51 (19)	O1^xxxvi—Re1—O1^lv	81.75 (7)
O1^xxxiv—W1—O1^liv	64.64 (4)	O1^xxxvi—Re1—O1^lvi	64.64 (4)
O1^xxxiv—W1—O1^lv	98.25 (7)	O1^xxxvi—Re1—O1^lvii	157.51 (16)
O1^xxxiv—W1—O1^lvi	93.86 (13)	O1^xxxvi—Re1—O1^lviii	64.64 (4)
O1^xxxiv—W1—O1^lvii	115.36 (4)	O1^xxxvi—Re1—O1^lix	81.75 (7)
O1^xxxiv—W1—O1^lviii	93.86 (13)	O1^xxxvi—Re1—O1^lx	157.51 (16)
O1^xxxiv—W1—O1^lix	98.25 (7)	O1^xxxvi—Re1—O1^lxi	115.36 (4)
O1^xxxiv—W1—O1^lx	115.36 (4)	O1^xxxvi—Re1—O1^lxii	135.49 (19)
O1^xxxiv—W1—O1^lxi	157.51 (16)	O1^xxxvi—Re1—O1^lxiii	115.36 (4)
O1^xxxiv—W1—O1^lxii	180.0	O1^xxxvi—Re1—O1^lxiv	86.14 (13)
O1^xxxiv—W1—O1^lxiii	157.51 (16)	O1^xxxvi—Re1—O1^lxv	180.0
O1^xxxiv—W1—O1^lxiv	115.36 (4)	O1^xxxvi—Re1—O1^lxvi	86.14 (13)
O1^xxxiv—W1—O1^lxv	135.49 (19)	O1^xxxvi—Re1—O1^lxvii	98.25 (7)
O1^xxxiv—W1—O1^lxvi	115.36 (4)	O1^xxxvi—Re1—O1^lxviii	115.36 (4)
O1^xxxiv—W1—O1^lxvii	81.75 (7)	O1^xxxvi—Re1—O1^xlv	22.49 (16)
O1^xxxiv—W1—O1^lxviii	86.14 (13)	O1^xxxvi—Re1—O1^lxix	115.36 (4)
O1^xxxiv—W1—O1^xlv	64.64 (4)	O1^xxxvi—Re1—O1^lxx	98.25 (7)
O1^xxxiv—W1—O1^lxix	86.14 (13)	O1^xxxvi—Re1—O1^xlvi	22.49 (16)
O1^xxxiv—W1—O1^lxx	81.75 (7)	O1^liv—Re1—O1^lv	157.51 (16)
O1^xxxiv—W1—O1^xlvi	64.64 (4)	O1^liv—Re1—O1^lvi	81.75 (7)
O1^xxxv—W1—O1^liii	64.64 (4)	O1^liv—Re1—O1^lvii	81.75 (7)
O1^xxxv—W1—O1^xxxvi	64.64 (4)	O1^liv—Re1—O1^lviii	157.51 (16)
O1^xxxv—W1—O1^liv	44.51 (19)	O1^liv—Re1—O1^lix	64.64 (4)
O1^xxxv—W1—O1^lv	115.36 (4)	O1^liv—Re1—O1^lx	64.64 (4)
O1^xxxv—W1—O1^lvi	98.25 (7)	O1^liv—Re1—O1^lxi	115.36 (4)
O1^xxxv—W1—O1^lvii	98.25 (7)	O1^liv—Re1—O1^lxii	115.36 (4)
O1^xxxv—W1—O1^lviii	115.36 (4)	O1^liv—Re1—O1^lxiii	135.49 (19)
O1^xxxv—W1—O1^lix	93.86 (13)	O1^liv—Re1—O1^lxiv	86.14 (13)
O1^xxxv—W1—O1^lx	93.86 (13)	O1^liv—Re1—O1^lxv	86.14 (13)
O1^xxxv—W1—O1^lxi	157.51 (16)	O1^liv—Re1—O1^lxvi	180.0
O1^xxxv—W1—O1^lxii	157.51 (16)	O1^liv—Re1—O1^lxvii	22.49 (16)
O1^xxxv—W1—O1^lxiii	180.0	O1^liv—Re1—O1^lxviii	98.25 (7)
O1^xxxv—W1—O1^lxiv	115.36 (4)	O1^liv—Re1—O1^xlv	98.25 (7)
O1^xxxv—W1—O1^lxv	115.36 (4)	O1^liv—Re1—O1^lxix	22.49 (16)
O1^xxxv—W1—O1^lxvi	135.49 (19)	O1^liv—Re1—O1^lxx	115.36 (4)
O1^xxxv—W1—O1^lxvii	64.64 (4)	O1^liv—Re1—O1^xlvi	115.36 (4)
O1^xxxv—W1—O1^lxviii	81.75 (7)	O1^lv—Re1—O1^lvi	115.36 (4)
O1^xxxv—W1—O1^xlv	81.75 (7)	O1^lv—Re1—O1^lvii	93.86 (13)
O1^xxxv—W1—O1^lxix	64.64 (4)	O1^lv—Re1—O1^lviii	22.49 (16)
O1^xxxv—W1—O1^lxx	86.14 (13)	O1^lv—Re1—O1^lix	135.49 (19)
O1^xxxv—W1—O1^xlvi	86.14 (13)	O1^lv—Re1—O1^lx	115.36 (4)
O1^liii—W1—O1^xxxvi	93.86 (13)	O1^lv—Re1—O1^lxi	86.14 (13)
O1^liii—W1—O1^liv	93.86 (13)	O1^lv—Re1—O1^lxii	81.75 (7)
O1^liii—W1—O1^lv	64.64 (4)	O1^lv—Re1—O1^lxiii	64.64 (4)
O1^liii—W1—O1^lvi	157.51 (16)	O1^lv—Re1—O1^lxiv	115.36 (4)
O1^liii—W1—O1^lvii	64.64 (4)	O1^lv—Re1—O1^lxv	98.25 (7)
O1^liii—W1—O1^lviii	81.75 (7)	O1^lv—Re1—O1^lxvi	22.49 (16)
O1^liii—W1—O1^lix	157.51 (16)	O1^lv—Re1—O1^lxvii	180.0
O1^liii—W1—O1^lx	81.75 (7)	O1^lv—Re1—O1^lxviii	64.64 (4)
O1^liii—W1—O1^lxi	135.49 (19)	O1^lv—Re1—O1^xlv	86.14 (13)
O1^liii—W1—O1^lxii	115.36 (4)	O1^lv—Re1—O1^lxix	157.51 (16)
O1^liii—W1—O1^lxiii	115.36 (4)	O1^lv—Re1—O1^lxx	44.51 (19)
O1^liii—W1—O1^lxiv	180.0	O1^lv—Re1—O1^xlvi	64.64 (4)
O1^liii—W1—O1^lxv	86.14 (13)	O1^lvi—Re1—O1^lvii	135.49 (19)
O1^liii—W1—O1^lxvi	86.14 (13)	O1^lvi—Re1—O1^lviii	93.86 (13)
O1^liii—W1—O1^lxvii	115.36 (4)	O1^lvi—Re1—O1^lix	22.49 (16)
O1^liii—W1—O1^lxviii	22.49 (16)	O1^lvi—Re1—O1^lx	115.36 (4)
O1^liii—W1—O1^xlv	115.36 (4)	O1^lvi—Re1—O1^lxi	64.64 (4)
O1^liii—W1—O1^lxix	98.25 (7)	O1^lvi—Re1—O1^lxii	86.14 (13)
O1^liii—W1—O1^lxx	22.49 (16)	O1^lvi—Re1—O1^lxiii	81.75 (7)
O1^liii—W1—O1^xlvi	98.25 (7)	O1^lvi—Re1—O1^lxiv	22.49 (16)
O1^xxxvi—W1—O1^liv	93.86 (13)	O1^lvi—Re1—O1^lxv	115.36 (4)
O1^xxxvi—W1—O1^lv	81.75 (7)	O1^lvi—Re1—O1^lxvi	98.25 (7)
O1^xxxvi—W1—O1^lvi	64.64 (4)	O1^lvi—Re1—O1^lxvii	64.64 (4)
O1^xxxvi—W1—O1^lvii	157.51 (16)	O1^lvi—Re1—O1^lxviii	180.0
O1^xxxvi—W1—O1^lviii	64.64 (4)	O1^lvi—Re1—O1^xlv	44.51 (19)
O1^xxxvi—W1—O1^lix	81.75 (7)	O1^lvi—Re1—O1^lxix	86.14 (13)
O1^xxxvi—W1—O1^lx	157.51 (16)	O1^lvi—Re1—O1^lxx	157.51 (16)
O1^xxxvi—W1—O1^lxi	115.36 (4)	O1^lvi—Re1—O1^xlvi	64.64 (4)
O1^xxxvi—W1—O1^lxii	135.49 (19)	O1^lvii—Re1—O1^lviii	115.36 (4)
O1^xxxvi—W1—O1^lxiii	115.36 (4)	O1^lvii—Re1—O1^lix	115.36 (4)
O1^xxxvi—W1—O1^lxiv	86.14 (13)	O1^lvii—Re1—O1^lx	22.49 (16)
O1^xxxvi—W1—O1^lxv	180.0	O1^lvii—Re1—O1^lxi	86.14 (13)
O1^xxxvi—W1—O1^lxvi	86.14 (13)	O1^lvii—Re1—O1^lxii	64.64 (4)
O1^xxxvi—W1—O1^lxvii	98.25 (7)	O1^lvii—Re1—O1^lxiii	81.75 (7)
O1^xxxvi—W1—O1^lxviii	115.36 (4)	O1^lvii—Re1—O1^lxiv	115.36 (4)
O1^xxxvi—W1—O1^xlv	22.49 (16)	O1^lvii—Re1—O1^lxv	22.49 (16)
O1^xxxvi—W1—O1^lxix	115.36 (4)	O1^lvii—Re1—O1^lxvi	98.25 (7)
O1^xxxvi—W1—O1^lxx	98.25 (7)	O1^lvii—Re1—O1^lxvii	86.14 (13)
O1^xxxvi—W1—O1^xlvi	22.49 (16)	O1^lvii—Re1—O1^lxviii	44.51 (19)
O1^liv—W1—O1^lv	157.51 (16)	O1^lvii—Re1—O1^xlv	180.0
O1^liv—W1—O1^lvi	81.75 (7)	O1^lvii—Re1—O1^lxix	64.64 (4)
O1^liv—W1—O1^lvii	81.75 (7)	O1^lvii—Re1—O1^lxx	64.64 (4)
O1^liv—W1—O1^lviii	157.51 (16)	O1^lvii—Re1—O1^xlvi	157.51 (16)
O1^liv—W1—O1^lix	64.64 (4)	O1^lviii—Re1—O1^lix	115.36 (4)
O1^liv—W1—O1^lx	64.64 (4)	O1^lviii—Re1—O1^lx	135.49 (19)
O1^liv—W1—O1^lxi	115.36 (4)	O1^lviii—Re1—O1^lxi	81.75 (7)
O1^liv—W1—O1^lxii	115.36 (4)	O1^lviii—Re1—O1^lxii	86.14 (13)
O1^liv—W1—O1^lxiii	135.49 (19)	O1^lviii—Re1—O1^lxiii	64.64 (4)
O1^liv—W1—O1^lxiv	86.14 (13)	O1^lviii—Re1—O1^lxiv	98.25 (7)
O1^liv—W1—O1^lxv	86.14 (13)	O1^lviii—Re1—O1^lxv	115.36 (4)
O1^liv—W1—O1^lxvi	180.0	O1^lviii—Re1—O1^lxvi	22.49 (16)
O1^liv—W1—O1^lxvii	22.49 (16)	O1^lviii—Re1—O1^lxvii	157.51 (16)
O1^liv—W1—O1^lxviii	98.25 (7)	O1^lviii—Re1—O1^lxviii	86.14 (13)
O1^liv—W1—O1^xlv	98.25 (7)	O1^lviii—Re1—O1^xlv	64.64 (4)
O1^liv—W1—O1^lxix	22.49 (16)	O1^lviii—Re1—O1^lxix	180.0
O1^liv—W1—O1^lxx	115.36 (4)	O1^lviii—Re1—O1^lxx	64.64 (4)
O1^liv—W1—O1^xlvi	115.36 (4)	O1^lviii—Re1—O1^xlvi	44.51 (19)
O1^lv—W1—O1^lvi	115.36 (4)	O1^lix—Re1—O1^lx	93.86 (13)
O1^lv—W1—O1^lvii	93.86 (13)	O1^lix—Re1—O1^lxi	64.64 (4)
O1^lv—W1—O1^lviii	22.49 (16)	O1^lix—Re1—O1^lxii	81.75 (7)
O1^lv—W1—O1^lix	135.49 (19)	O1^lix—Re1—O1^lxiii	86.14 (13)
O1^lv—W1—O1^lx	115.36 (4)	O1^lix—Re1—O1^lxiv	22.49 (16)
O1^lv—W1—O1^lxi	86.14 (13)	O1^lix—Re1—O1^lxv	98.25 (7)
O1^lv—W1—O1^lxii	81.75 (7)	O1^lix—Re1—O1^lxvi	115.36 (4)
O1^lv—W1—O1^lxiii	64.64 (4)	O1^lix—Re1—O1^lxvii	44.51 (19)
O1^lv—W1—O1^lxiv	115.36 (4)	O1^lix—Re1—O1^lxviii	157.51 (16)
O1^lv—W1—O1^lxv	98.25 (7)	O1^lix—Re1—O1^xlv	64.64 (4)
O1^lv—W1—O1^lxvi	22.49 (16)	O1^lix—Re1—O1^lxix	64.64 (4)
O1^lv—W1—O1^lxvii	180.0	O1^lix—Re1—O1^lxx	180.0
O1^lv—W1—O1^lxviii	64.64 (4)	O1^lix—Re1—O1^xlvi	86.14 (13)
O1^lv—W1—O1^xlv	86.14 (13)	O1^lx—Re1—O1^lxi	81.75 (7)
O1^lv—W1—O1^lxix	157.51 (16)	O1^lx—Re1—O1^lxii	64.64 (4)
O1^lv—W1—O1^lxx	44.51 (19)	O1^lx—Re1—O1^lxiii	86.14 (13)
O1^lv—W1—O1^xlvi	64.64 (4)	O1^lx—Re1—O1^lxiv	98.25 (7)
O1^lvi—W1—O1^lvii	135.49 (19)	O1^lx—Re1—O1^lxv	22.49 (16)
O1^lvi—W1—O1^lviii	93.86 (13)	O1^lx—Re1—O1^lxvi	115.36 (4)
O1^lvi—W1—O1^lix	22.49 (16)	O1^lx—Re1—O1^lxvii	64.64 (4)
O1^lvi—W1—O1^lx	115.36 (4)	O1^lx—Re1—O1^lxviii	64.64 (4)
O1^lvi—W1—O1^lxi	64.64 (4)	O1^lx—Re1—O1^xlv	157.51 (16)
O1^lvi—W1—O1^lxii	86.14 (13)	O1^lx—Re1—O1^lxix	44.51 (19)
O1^lvi—W1—O1^lxiii	81.75 (7)	O1^lx—Re1—O1^lxx	86.14 (13)
O1^lvi—W1—O1^lxiv	22.49 (16)	O1^lx—Re1—O1^xlvi	180.0
O1^lvi—W1—O1^lxv	115.36 (4)	O1^lxi—Re1—O1^lxii	22.49 (16)
O1^lvi—W1—O1^lxvi	98.25 (7)	O1^lxi—Re1—O1^lxiii	22.49 (16)
O1^lvi—W1—O1^lxvii	64.64 (4)	O1^lxi—Re1—O1^lxiv	44.51 (19)
O1^lvi—W1—O1^lxviii	180.0	O1^lxi—Re1—O1^lxv	64.64 (4)
O1^lvi—W1—O1^xlv	44.51 (19)	O1^lxi—Re1—O1^lxvi	64.64 (4)
O1^lvi—W1—O1^lxix	86.14 (13)	O1^lxi—Re1—O1^lxvii	93.86 (13)
O1^lvi—W1—O1^lxx	157.51 (16)	O1^lxi—Re1—O1^lxviii	115.36 (4)
O1^lvi—W1—O1^xlvi	64.64 (4)	O1^lxi—Re1—O1^xlv	93.86 (13)
O1^lvii—W1—O1^lviii	115.36 (4)	O1^lxi—Re1—O1^lxix	98.25 (7)
O1^lvii—W1—O1^lix	115.36 (4)	O1^lxi—Re1—O1^lxx	115.36 (4)
O1^lvii—W1—O1^lx	22.49 (16)	O1^lxi—Re1—O1^xlvi	98.25 (7)
O1^lvii—W1—O1^lxi	86.14 (13)	O1^lxii—Re1—O1^lxiii	22.49 (16)
O1^lvii—W1—O1^lxii	64.64 (4)	O1^lxii—Re1—O1^lxiv	64.64 (4)
O1^lvii—W1—O1^lxiii	81.75 (7)	O1^lxii—Re1—O1^lxv	44.51 (19)
O1^lvii—W1—O1^lxiv	115.36 (4)	O1^lxii—Re1—O1^lxvi	64.64 (4)
O1^lvii—W1—O1^lxv	22.49 (16)	O1^lxii—Re1—O1^lxvii	98.25 (7)
O1^lvii—W1—O1^lxvi	98.25 (7)	O1^lxii—Re1—O1^lxviii	93.86 (13)
O1^lvii—W1—O1^lxvii	86.14 (13)	O1^lxii—Re1—O1^xlv	115.36 (4)
O1^lvii—W1—O1^lxviii	44.51 (19)	O1^lxii—Re1—O1^lxix	93.86 (13)
O1^lvii—W1—O1^xlv	180.0	O1^lxii—Re1—O1^lxx	98.25 (7)
O1^lvii—W1—O1^lxix	64.64 (4)	O1^lxii—Re1—O1^xlvi	115.36 (4)
O1^lvii—W1—O1^lxx	64.64 (4)	O1^lxiii—Re1—O1^lxiv	64.64 (4)
O1^lvii—W1—O1^xlvi	157.51 (16)	O1^lxiii—Re1—O1^lxv	64.64 (4)
O1^lviii—W1—O1^lix	115.36 (4)	O1^lxiii—Re1—O1^lxvi	44.51 (19)
O1^lviii—W1—O1^lx	135.49 (19)	O1^lxiii—Re1—O1^lxvii	115.36 (4)
O1^lviii—W1—O1^lxi	81.75 (7)	O1^lxiii—Re1—O1^lxviii	98.25 (7)
O1^lviii—W1—O1^lxii	86.14 (13)	O1^lxiii—Re1—O1^xlv	98.25 (7)
O1^lviii—W1—O1^lxiii	64.64 (4)	O1^lxiii—Re1—O1^lxix	115.36 (4)
O1^lviii—W1—O1^lxiv	98.25 (7)	O1^lxiii—Re1—O1^lxx	93.86 (13)
O1^lviii—W1—O1^lxv	115.36 (4)	O1^lxiii—Re1—O1^xlvi	93.86 (13)
O1^lviii—W1—O1^lxvi	22.49 (16)	O1^lxiv—Re1—O1^lxv	93.86 (13)
O1^lviii—W1—O1^lxvii	157.51 (16)	O1^lxiv—Re1—O1^lxvi	93.86 (13)
O1^lviii—W1—O1^lxviii	86.14 (13)	O1^lxiv—Re1—O1^lxvii	64.64 (4)
O1^lviii—W1—O1^xlv	64.64 (4)	O1^lxiv—Re1—O1^lxviii	157.51 (16)
O1^lviii—W1—O1^lxix	180.0	O1^lxiv—Re1—O1^xlv	64.64 (4)
O1^lviii—W1—O1^lxx	64.64 (4)	O1^lxiv—Re1—O1^lxix	81.75 (7)
O1^lviii—W1—O1^xlvi	44.51 (19)	O1^lxiv—Re1—O1^lxx	157.51 (16)
O1^lix—W1—O1^lx	93.86 (13)	O1^lxiv—Re1—O1^xlvi	81.75 (7)
O1^lix—W1—O1^lxi	64.64 (4)	O1^lxv—Re1—O1^lxvi	93.86 (13)
O1^lix—W1—O1^lxii	81.75 (7)	O1^lxv—Re1—O1^lxvii	81.75 (7)
O1^lix—W1—O1^lxiii	86.14 (13)	O1^lxv—Re1—O1^lxviii	64.64 (4)
O1^lix—W1—O1^lxiv	22.49 (16)	O1^lxv—Re1—O1^xlv	157.51 (16)
O1^lix—W1—O1^lxv	98.25 (7)	O1^lxv—Re1—O1^lxix	64.64 (4)
O1^lix—W1—O1^lxvi	115.36 (4)	O1^lxv—Re1—O1^lxx	81.75 (7)
O1^lix—W1—O1^lxvii	44.51 (19)	O1^lxv—Re1—O1^xlvi	157.51 (16)
O1^lix—W1—O1^lxviii	157.51 (16)	O1^lxvi—Re1—O1^lxvii	157.51 (16)
O1^lix—W1—O1^xlv	64.64 (4)	O1^lxvi—Re1—O1^lxviii	81.75 (7)
O1^lix—W1—O1^lxix	64.64 (4)	O1^lxvi—Re1—O1^xlv	81.75 (7)
O1^lix—W1—O1^lxx	180.0	O1^lxvi—Re1—O1^lxix	157.51 (16)
O1^lix—W1—O1^xlvi	86.14 (13)	O1^lxvi—Re1—O1^lxx	64.64 (4)
O1^lx—W1—O1^lxi	81.75 (7)	O1^lxvi—Re1—O1^xlvi	64.64 (4)
O1^lx—W1—O1^lxii	64.64 (4)	O1^lxvii—Re1—O1^lxviii	115.36 (4)
O1^lx—W1—O1^lxiii	86.14 (13)	O1^lxvii—Re1—O1^xlv	93.86 (13)
O1^lx—W1—O1^lxiv	98.25 (7)	O1^lxvii—Re1—O1^lxix	22.49 (16)
O1^lx—W1—O1^lxv	22.49 (16)	O1^lxvii—Re1—O1^lxx	135.49 (19)
O1^lx—W1—O1^lxvi	115.36 (4)	O1^lxvii—Re1—O1^xlvi	115.36 (4)
O1^lx—W1—O1^lxvii	64.64 (4)	O1^lxviii—Re1—O1^xlv	135.49 (19)
O1^lx—W1—O1^lxviii	64.64 (4)	O1^lxviii—Re1—O1^lxix	93.86 (13)
O1^lx—W1—O1^xlv	157.51 (16)	O1^lxviii—Re1—O1^lxx	22.49 (16)
O1^lx—W1—O1^lxix	44.51 (19)	O1^lxviii—Re1—O1^xlvi	115.36 (4)
O1^lx—W1—O1^lxx	86.14 (13)	O1^xlv—Re1—O1^lxix	115.36 (4)
O1^lx—W1—O1^xlvi	180.0	O1^xlv—Re1—O1^lxx	115.36 (4)
O1^lxi—W1—O1^lxii	22.49 (16)	O1^xlv—Re1—O1^xlvi	22.49 (16)
O1^lxi—W1—O1^lxiii	22.49 (16)	O1^lxix—Re1—O1^lxx	115.36 (4)
O1^lxi—W1—O1^lxiv	44.51 (19)	O1^lxix—Re1—O1^xlvi	135.49 (19)
O1^lxi—W1—O1^lxv	64.64 (4)	O1^lxx—Re1—O1^xlvi	93.86 (13)
O1^lxi—W1—O1^lxvi	64.64 (4)	La2^xl—Re2—O1^xxxiv	159.58 (10)
O1^lxi—W1—O1^lxvii	93.86 (13)	La2^xl—Re2—O1^xxxvi	159.58 (10)
O1^lxi—W1—O1^lxviii	115.36 (4)	La2^xl—Re2—W2^xl	0.0
O1^lxi—W1—O1^xlv	93.86 (13)	La2^xl—Re2—Re2^xl	0.0
O1^lxi—W1—O1^lxix	98.25 (7)	O1^xxxiv—Re2—O1^xxxvi	40.8 (2)
O1^lxi—W1—O1^lxx	115.36 (4)	O1^xxxiv—Re2—W2^xl	159.58 (10)
O1^lxi—W1—O1^xlvi	98.25 (7)	O1^xxxiv—Re2—Re2^xl	159.58 (10)
O1^lxii—W1—O1^lxiii	22.49 (16)	O1^xxxvi—Re2—W2^xl	159.58 (10)
O1^lxii—W1—O1^lxiv	64.64 (4)	O1^xxxvi—Re2—Re2^xl	159.58 (10)
O1^lxii—W1—O1^lxv	44.51 (19)	W2^xl—Re2—Re2^xl	0.0
O1^lxii—W1—O1^lxvi	64.64 (4)

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