Pucherite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern of R060824 Qurashi M M, Barnes W H American Mineralogist 37 (1952) 423-426 A preliminary structure for pucherite, BiVO4 CELL PARAMETERS: 5.3410 5.0760 12.0650 90.000 90.000 90.000 SPACE GROUP: Pnca ATOM X Y Z OCCUPANCY ISO(B) Bi 0.25000 0.00000 0.10800 1.000 1.500 V 0.25000 0.00000 0.39200 1.000 0.800 O 0.00000 0.00000 0.00000 1.000 1.000 O 0.00000 0.00000 0.50000 1.000 1.000 O -0.03300 0.28300 0.21700 1.000 1.000 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 4 +/- 4 +/- 11 MAX. ABS. INTENSITY / VOLUME**2: 155.8001803 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.68 11.55 6.0325 0 0 2 18.97 51.29 4.6788 0 1 1 22.23 54.93 3.9989 1 0 2 25.31 100.00 3.5194 1 1 1 28.31 5.81 3.1522 0 1 3 29.62 19.00 3.0162 0 0 4 33.00 96.57 2.7147 1 1 3 33.56 16.13 2.6705 2 0 0 34.14 4.00 2.6264 1 0 4 35.37 25.61 2.5380 0 2 0 36.81 1.63 2.4419 2 0 2 38.48 7.82 2.3394 0 2 2 38.83 17.13 2.3193 2 1 1 41.43 11.54 2.1793 0 1 5 42.17 21.36 2.1428 1 2 2 44.46 4.08 2.0376 2 1 3 44.92 2.94 2.0178 1 1 5 45.09 3.19 2.0108 0 0 6 45.36 28.70 1.9994 2 0 4 46.78 15.91 1.9420 0 2 4 48.37 4.99 1.8819 1 0 6 49.55 16.96 1.8397 2 2 0 49.97 1.92 1.8251 1 2 4 53.68 5.26 1.7075 3 0 2 54.33 8.56 1.6884 2 1 5 54.79 3.02 1.6756 0 3 1 55.20 9.23 1.6639 3 1 1 57.36 4.86 1.6064 2 0 6 57.66 7.94 1.5988 1 3 1 58.57 2.09 1.5761 0 2 6 58.79 17.93 1.5706 2 2 4 59.20 19.12 1.5608 1 1 7 59.64 15.23 1.5502 3 1 3 61.33 3.83 1.5117 1 2 6 61.48 2.37 1.5081 0 0 8 61.99 13.28 1.4971 1 3 3 64.17 1.43 1.4514 1 0 8 65.80 2.92 1.4193 2 3 1 65.93 4.44 1.4167 3 2 2 67.62 1.81 1.3854 0 3 5 69.22 5.75 1.3573 2 2 6 70.53 3.48 1.3353 4 0 0 70.67 1.00 1.3330 3 0 6 71.90 1.54 1.3132 2 0 8 72.97 2.64 1.2965 0 2 8 73.00 1.60 1.2961 0 1 9 73.80 2.03 1.2840 4 1 1 74.82 2.81 1.2690 0 4 0 75.45 1.93 1.2599 1 2 8 77.64 3.09 1.2297 2 3 5 78.31 2.14 1.2210 4 0 4 78.37 3.10 1.2202 3 3 1 79.19 2.52 1.2096 1 4 2 79.43 1.76 1.2065 0 0 10 79.70 6.74 1.2030 3 1 7 81.44 3.38 1.1817 4 2 0 81.58 1.88 1.1801 3 2 6 81.78 6.21 1.1777 1 3 7 82.17 4.63 1.1731 3 3 3 82.46 1.83 1.1697 0 4 4 82.75 1.87 1.1663 2 2 8 82.77 2.39 1.1660 2 1 9 84.54 2.05 1.1462 2 4 0 85.24 2.08 1.1385 4 1 5 88.96 3.59 1.1003 4 2 4 89.04 1.36 1.0995 2 0 10 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.