Bismutite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R050634 Grice J D The Canadian Mineralogist 40 (2002) 693-698 A solution to the crystal structures of bismutite and beyerite CELL PARAMETERS: 3.8760 3.8770 13.8300 90.000 90.000 90.000 SPACE GROUP: Imm2 ATOM X Y Z OCCUPANCY ISO(B) Bi 0.00000 0.00000 0.00000 1.000 1.295 Bi 0.50000 0.50000 0.18433 1.000 1.350 C 0.00000 0.00000 0.33800 1.000 0.947 O 0.00000 0.50000 0.10400 1.000 1.500 O 0.50000 0.00000 0.10200 1.000 1.105 O 0.00000 0.28600 0.30500 1.000 3.000 O 0.00000 0.00000 0.44300 1.000 2.132 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 0.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 3 +/- 3 +/- 12 MAX. ABS. INTENSITY / VOLUME**2: 410.9035052 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 12.80 23.95 6.9150 0 0 2 23.84 21.85 3.7331 0 1 1 23.84 13.68 3.7322 1 0 1 25.77 10.79 3.4575 0 0 4 30.12 46.53 2.9672 0 1 3 30.12 53.47 2.9667 1 0 3 32.67 35.64 2.7411 1 1 0 35.22 5.70 2.5482 1 1 2 39.08 9.07 2.3050 0 0 6 40.04 1.50 2.2517 0 1 5 40.05 1.19 2.2515 1 0 5 42.07 21.58 2.1480 1 1 4 46.87 7.54 1.9385 0 2 0 46.88 9.33 1.9380 2 0 0 48.79 2.79 1.8665 0 2 2 48.80 1.70 1.8661 2 0 2 51.82 19.07 1.7642 1 1 6 51.95 5.68 1.7603 0 1 7 51.95 5.90 1.7602 1 0 7 53.25 5.31 1.7203 1 2 1 53.26 4.60 1.7200 2 1 1 54.25 3.49 1.6909 0 2 4 54.26 2.80 1.6905 2 0 4 56.73 12.96 1.6228 1 2 3 56.73 13.75 1.6226 2 1 3 62.61 3.88 1.4836 0 2 6 62.63 4.06 1.4834 2 0 6 65.32 3.69 1.4285 0 1 9 65.32 3.50 1.4285 1 0 9 67.76 1.61 1.3830 0 0 10 68.46 4.15 1.3705 2 2 0 69.98 1.50 1.3444 2 2 2 72.54 3.66 1.3031 1 2 7 72.55 3.66 1.3030 2 1 7 74.47 2.35 1.2741 2 2 4 76.56 2.62 1.2444 0 3 3 76.59 2.67 1.2441 3 0 3 77.27 3.09 1.2347 1 1 10 77.93 2.46 1.2260 1 3 0 77.94 2.29 1.2257 3 1 0 81.75 3.28 1.1780 2 2 6 83.70 1.96 1.1555 1 3 4 83.72 2.06 1.1553 3 1 4 84.19 3.28 1.1500 1 2 9 84.20 3.18 1.1499 2 1 9 86.43 1.29 1.1258 0 2 10 86.44 1.45 1.1257 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.