Volborthite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R050249 Lafontaine M A, LeBail A, Ferey G Journal of Solid State Chemistry 85 (1990) 220-227 Copper-containing minerals - I. Cu3V2O7(OH)2,2H2O: The synthetic homolog of volborthite; crystal structure determination from X-ray and neutron data; structural correlations Note: neutron data on a synthetic sample CELL PARAMETERS: 10.6230 5.8800 7.2150 90.000 95.000 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Cu 0.00000 0.00000 0.00000 1.000 1.020 Cu 0.25000 0.25000 0.00000 1.000 1.020 V 0.99590 0.50000 0.25160 1.000 0.550 O 0.00000 0.50000 0.50000 1.000 1.500 O 0.34280 0.50000 0.10950 1.000 1.500 O 0.07560 0.26350 0.18640 1.000 1.500 O 0.16220 0.50000 0.83810 1.000 1.500 Ow 0.32230 0.50000 0.48940 1.000 1.500 H 0.35010 0.50000 0.23760 1.000 5.700 H 0.35360 0.37140 0.56390 1.000 5.700 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 9 +/- 5 +/- 6 MAX. ABS. INTENSITY / VOLUME**2: 53.48284789 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.31 100.00 7.1875 0 0 1 16.76 1.67 5.2913 2 0 0 17.25 2.66 5.1399 1 1 0 19.95 3.35 4.4503 -2 0 1 20.82 7.28 4.2672 -1 1 1 21.68 5.42 4.0996 1 1 1 21.71 2.38 4.0942 2 0 1 24.77 4.02 3.5938 0 0 2 28.79 12.90 3.1012 -2 0 2 29.53 4.13 3.0249 3 1 0 29.72 16.45 3.0056 -1 1 2 30.40 1.79 2.9400 0 2 0 30.96 15.45 2.8884 1 1 2 31.21 5.86 2.8657 -3 1 1 31.28 6.96 2.8593 2 0 2 32.92 3.88 2.7212 0 2 1 32.97 4.70 2.7164 3 1 1 33.88 10.51 2.6456 4 0 0 34.91 18.11 2.5699 2 2 0 35.11 9.87 2.5561 -4 0 1 36.63 1.67 2.4530 -2 2 1 37.40 2.32 2.4045 -3 1 2 37.67 19.38 2.3881 2 2 1 39.61 1.79 2.2755 0 2 2 39.93 1.44 2.2577 -2 0 3 40.38 2.65 2.2335 3 1 2 40.54 4.69 2.2252 -4 0 2 42.29 1.89 2.1372 1 1 3 44.18 6.97 2.0498 2 2 2 47.11 1.77 1.9290 -4 2 1 49.02 3.71 1.8583 -4 0 3 49.05 1.04 1.8573 0 2 3 50.32 1.03 1.8133 3 1 3 50.54 3.17 1.8058 -5 1 2 50.81 4.48 1.7969 0 0 4 51.00 6.11 1.7907 -2 2 3 51.51 2.67 1.7743 -4 2 2 53.37 5.71 1.7166 2 2 3 53.60 2.43 1.7098 -1 3 2 53.81 2.09 1.7035 4 0 3 54.37 1.95 1.6873 1 3 2 54.48 2.42 1.6843 5 1 2 54.53 1.11 1.6827 -3 3 1 54.63 2.13 1.6800 4 2 2 59.63 2.04 1.5506 -4 0 4 61.29 9.55 1.5125 6 2 0 61.72 1.91 1.5029 -6 2 1 61.73 6.81 1.5028 -2 2 4 63.26 4.28 1.4700 0 4 0 63.83 2.41 1.4583 6 2 1 64.53 2.89 1.4442 2 2 4 64.73 1.93 1.4402 0 4 1 65.26 3.12 1.4297 4 0 4 66.94 1.04 1.3978 -7 1 2 68.87 1.19 1.3633 -5 3 2 70.95 1.13 1.3283 -2 4 2 73.73 1.80 1.2850 4 4 0 74.21 1.09 1.2778 -2 2 5 74.45 1.25 1.2743 -4 4 1 79.77 1.91 1.2022 -6 2 4 85.31 1.42 1.1378 0 4 4 87.31 1.19 1.1167 6 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.