Volborthite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070710 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: 10.6200 5.8600 7.2060 90.000 94.940 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: 53.86784361 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.33 100.00 7.1792 0 0 1 16.76 1.67 5.2903 2 0 0 17.30 2.65 5.1263 1 1 0 19.97 3.35 4.4456 -2 0 1 20.87 7.26 4.2567 -1 1 1 21.71 2.39 4.0938 2 0 1 21.72 5.41 4.0919 1 1 1 24.80 4.02 3.5896 0 0 2 28.83 12.88 3.0969 -2 0 2 29.56 4.13 3.0218 3 1 0 29.78 16.40 2.9998 -1 1 2 30.51 1.78 2.9300 0 2 0 31.00 15.43 2.8844 1 1 2 31.26 5.84 2.8616 -3 1 1 31.30 6.97 2.8582 2 0 2 33.00 4.70 2.7144 3 1 1 33.02 3.85 2.7128 0 2 1 33.89 10.54 2.6451 4 0 0 35.01 18.02 2.5631 2 2 0 35.13 9.87 2.5544 -4 0 1 36.74 1.67 2.4464 -2 2 1 37.46 2.31 2.4006 -3 1 2 37.76 19.29 2.3826 2 2 1 39.71 1.78 2.2699 0 2 2 39.99 1.43 2.2545 -2 0 3 40.41 2.65 2.2320 3 1 2 40.59 4.69 2.2228 -4 0 2 42.34 1.89 2.1346 1 1 3 44.27 6.94 2.0460 2 2 2 47.20 1.76 1.9254 -4 2 1 49.09 3.70 1.8559 -4 0 3 49.16 1.04 1.8534 0 2 3 50.36 1.03 1.8121 3 1 3 50.61 3.16 1.8037 -5 1 2 50.88 4.48 1.7948 0 0 4 51.12 6.07 1.7868 -2 2 3 51.61 2.65 1.7709 -4 2 2 53.46 5.69 1.7139 2 2 3 53.77 2.41 1.7048 -1 3 2 53.83 2.09 1.7031 4 0 3 54.50 2.43 1.6838 5 1 2 54.53 1.94 1.6827 1 3 2 54.69 1.10 1.6782 -3 3 1 54.70 2.13 1.6780 4 2 2 59.72 2.03 1.5484 -4 0 4 61.36 9.53 1.5109 6 2 0 61.81 1.90 1.5010 -6 2 1 61.86 6.77 1.4999 -2 2 4 63.50 4.22 1.4650 0 4 0 63.89 2.41 1.4570 6 2 1 64.63 2.88 1.4422 2 2 4 64.97 1.91 1.4354 0 4 1 65.29 3.12 1.4291 4 0 4 67.01 1.04 1.3966 -7 1 2 69.04 1.18 1.3604 -5 3 2 71.20 1.12 1.3243 -2 4 2 73.96 1.78 1.2816 4 4 0 74.37 1.08 1.2756 -2 2 5 74.69 1.24 1.2708 -4 4 1 79.92 1.90 1.2003 -6 2 4 85.57 1.41 1.1349 0 4 4 87.38 1.19 1.1160 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.