Volborthite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120063 Basso R, Palenzona A, Zefiro L Neues Jahrbuch fur Mineralogie, Monatshefte 1988 (1988) 385-394 Crystal structure refinement of volborthite from Scrava mine (Eastern Liguria, Italy) Note: split O1 and O5 atoms Locality: Scrava mine, Eastern Liguria, Italy _database_code_amcsd 0018693 CELL PARAMETERS: 10.5890 5.8547 7.1880 90.000 95.010 90.000 SPACE GROUP: C2/m ATOM X Y Z OCCUPANCY ISO(B) Cu 0.00000 0.00000 0.00000 1.000 0.700 Cu 0.25000 0.25000 0.00000 1.000 0.700 V 0.49650 0.00000 0.25390 1.000 0.800 O 0.00000 0.54730 0.50000 0.500 1.748 O 0.07310 0.26740 0.18830 1.000 1.000 O 0.34160 0.00000 0.15320 1.000 1.000 O 0.15770 0.00000 0.88140 1.000 1.000 O 0.17730 0.03110 0.51870 0.500 2.637 H 0.15100 0.00000 0.74100 1.000 1.000 H 0.09800 0.00000 0.43200 1.000 1.000 H 0.26000 0.00000 0.50800 1.000 1.000 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: 53.16755167 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.36 100.00 7.1605 0 0 1 16.81 1.92 5.2743 2 0 0 17.32 2.97 5.1191 1 1 0 20.02 3.88 4.4356 -2 0 1 20.90 6.03 4.2504 -1 1 1 21.77 6.34 4.0833 1 1 1 21.78 2.19 4.0799 2 0 1 24.87 4.03 3.5803 0 0 2 28.89 13.42 3.0903 -2 0 2 29.64 3.68 3.0143 3 1 0 29.84 17.00 2.9941 -1 1 2 30.54 1.81 2.9274 0 2 0 31.08 14.54 2.8772 1 1 2 31.32 5.88 2.8557 -3 1 1 31.40 7.33 2.8489 2 0 2 33.06 3.96 2.7097 0 2 1 33.10 4.70 2.7067 3 1 1 34.00 11.31 2.6371 4 0 0 35.06 18.06 2.5595 2 2 0 35.22 10.36 2.5479 -4 0 1 36.79 1.82 2.4432 -2 2 1 37.54 3.01 2.3960 -3 1 2 37.83 20.33 2.3785 2 2 1 39.77 1.90 2.2663 0 2 2 40.08 1.64 2.2496 -2 0 3 40.54 3.34 2.2253 3 1 2 40.68 4.99 2.2178 -4 0 2 42.46 1.72 2.1290 1 1 3 44.37 7.62 2.0416 2 2 2 46.74 1.05 1.9434 -3 1 3 47.30 1.90 1.9219 -4 2 1 49.20 4.10 1.8519 -4 0 3 50.73 2.76 1.7997 -5 1 2 51.02 4.41 1.7901 0 0 4 51.21 6.75 1.7837 -2 2 3 51.71 2.67 1.7678 -4 2 2 53.60 6.46 1.7098 2 2 3 53.84 2.41 1.7027 -1 3 2 54.02 2.26 1.6974 4 0 3 54.62 1.88 1.6803 1 3 2 54.69 2.43 1.6784 5 1 2 54.77 1.14 1.6760 -3 3 1 54.85 2.05 1.6737 4 2 2 58.97 1.13 1.5664 -3 3 2 59.86 2.10 1.5452 -4 0 4 61.53 9.62 1.5072 6 2 0 61.96 2.28 1.4976 -6 2 1 61.99 7.22 1.4971 -2 2 4 63.57 4.24 1.4637 0 4 0 64.08 2.78 1.4531 6 2 1 64.81 2.97 1.4386 2 2 4 65.04 2.37 1.4340 0 4 1 65.53 3.50 1.4244 4 0 4 67.19 1.00 1.3932 -7 1 2 69.17 1.18 1.3582 -5 3 2 71.29 1.27 1.3228 -2 4 2 74.08 1.80 1.2798 4 4 0 74.54 1.20 1.2730 -2 2 5 74.81 1.49 1.2692 -4 4 1 80.11 1.88 1.1980 -6 2 4 84.34 1.21 1.1483 -4 4 3 85.74 1.30 1.1331 0 4 4 87.72 1.14 1.1126 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.