Bikitaite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from the powder pattern for R060032 Ferro O, Quartieri S, Vezzalini G, Fois E, Gamba A, Tabacchi G American Mineralogist 87 (2002) 1415-1425 High-pressure behaviour of bikitaite: An integrated theoretical and experimental approach Sample at P = 1 atm CELL PARAMETERS: 8.606100 4.957300 7.597000 89.94000 114.4070 89.98000 SPACE GROUP: P1 X-RAY WAVELENGTH: 1.541838 2-THETA INTENSITY D-SPACING H K L 11.39 38.47 7.8426 1 0 0 12.90 26.03 6.9205 0 0 1 13.21 16.98 6.7579 -1 0 1 20.43 23.00 4.3694 1 0 1 21.02 10.94 4.2474 -2 0 1 21.27 84.48 4.1963 1 1 0 21.30 81.77 4.1919 -1 1 0 22.13 1.25 4.0353 0 1 1 22.32 5.34 4.0004 -1 1 1 22.32 4.56 4.0004 -1 -1 1 22.78 2.20 3.9213 2 0 0 23.52 12.61 3.7989 -1 0 2 25.84 100.00 3.4603 0 0 2 26.47 80.27 3.3789 -2 0 2 27.27 23.78 3.2817 1 1 1 27.31 19.64 3.2776 1 -1 1 27.73 22.56 3.2281 -2 -1 1 27.75 25.16 3.2261 -2 1 1 29.10 17.64 3.0786 2 1 0 29.13 19.87 3.0752 -2 1 0 30.59 6.94 2.9311 2 0 1 31.27 8.25 2.8691 -3 0 1 32.14 4.04 2.7931 -2 1 2 32.14 3.16 2.7932 -2 -1 2 35.64 17.30 2.5253 2 1 1 35.68 16.25 2.5225 2 -1 1 36.24 17.10 2.4849 -3 -1 1 36.26 14.74 2.4831 -3 1 1 36.28 31.24 2.4818 0 2 0 37.23 5.10 2.4206 1 1 2 37.27 6.68 2.4181 1 -1 2 38.16 8.25 2.3633 -3 1 2 38.15 12.06 2.3641 -3 -1 2 38.61 1.55 2.3368 0 2 1 38.64 1.77 2.3354 0 -2 1 38.74 6.88 2.3296 -1 2 1 38.74 7.26 2.3296 -1 -2 1 39.01 1.01 2.3141 3 1 0 39.04 1.58 2.3119 -3 1 0 40.31 1.81 2.2421 -1 1 3 40.33 2.19 2.2408 -1 -1 3 40.63 2.62 2.2248 -2 1 3 40.65 3.60 2.2242 -2 -1 3 41.92 1.24 2.1591 1 2 1 41.97 1.34 2.1568 1 -2 1 42.24 1.36 2.1434 -2 -2 1 42.27 1.27 2.1422 -2 2 1 43.31 1.55 2.0927 0 1 3 43.35 2.42 2.0912 0 -1 3 44.23 2.59 2.0513 -3 1 3 45.01 5.69 2.0176 0 2 2 45.05 4.74 2.0157 0 -2 2 45.42 2.31 2.0004 1 0 3 45.42 4.07 2.0002 -2 2 2 45.42 2.82 2.0002 -2 -2 2 45.74 4.69 1.9870 3 1 1 45.78 2.97 1.9851 3 -1 1 46.39 6.68 1.9606 4 0 0 46.58 1.46 1.9529 -4 -1 2 46.60 1.49 1.9520 -4 1 2 46.86 2.08 1.9420 -4 0 3 47.97 14.68 1.8994 -2 0 4 48.08 1.48 1.8952 2 2 1 48.15 1.61 1.8928 2 -2 1 48.56 2.89 1.8778 -3 -2 1 48.60 3.08 1.8762 -3 2 1 49.16 7.50 1.8561 1 1 3 49.20 4.83 1.8546 1 -1 3 49.81 1.01 1.8334 -3 0 4 50.54 2.37 1.8083 -4 1 3 50.53 1.88 1.8087 -4 -1 3 50.77 1.82 1.8009 3 2 0 50.83 1.39 1.7988 -3 2 0 51.60 1.04 1.7737 -2 -1 4 51.83 1.03 1.7662 -1 2 3 51.87 1.63 1.7649 -1 -2 3 52.13 1.15 1.7569 -2 -2 3 52.63 1.18 1.7414 -1 1 4 52.66 1.55 1.7404 -1 -1 4 53.34 2.04 1.7197 -3 -1 4 53.87 2.95 1.7040 2 0 3 54.39 1.20 1.6888 0 -2 3 55.65 2.90 1.6535 -5 0 3 56.12 1.24 1.6409 2 2 2 56.19 1.23 1.6388 2 -2 2 56.93 1.32 1.6192 1 3 0 56.96 2.16 1.6185 -1 3 0 56.98 1.94 1.6178 -4 -2 1 57.04 1.04 1.6163 -4 2 1 57.13 1.95 1.6141 -4 -2 2 57.17 1.24 1.6131 -4 2 2 57.20 3.99 1.6123 2 1 3 57.25 3.13 1.6111 2 -1 3 58.94 1.89 1.5685 5 0 0 58.94 3.16 1.5685 -5 1 3 58.93 2.73 1.5690 -5 -1 3 60.17 5.58 1.5393 4 2 0 60.25 5.50 1.5376 -4 2 0 60.61 1.72 1.5292 -4 2 3 60.80 3.53 1.5250 2 3 0 60.85 3.35 1.5238 -2 3 0 61.52 3.16 1.5087 -2 2 4 61.56 2.71 1.5080 -2 -2 4 62.10 2.00 1.4961 5 1 0 62.14 1.33 1.4951 -5 1 0 62.45 1.78 1.4884 -1 2 4 63.54 5.56 1.4655 4 0 2 64.28 1.07 1.4504 -2 -1 5 64.42 1.63 1.4475 -4 0 5 64.64 2.19 1.4431 -3 1 5 64.66 2.04 1.4428 -3 -1 5 64.72 1.08 1.4416 2 3 1 65.07 5.87 1.4345 -6 0 2 65.11 2.27 1.4338 -3 -3 1 65.16 2.34 1.4327 -3 3 1 65.76 2.69 1.4213 1 3 2 65.83 3.79 1.4198 1 -3 2 66.04 1.96 1.4158 -6 0 3 66.30 3.52 1.4108 -1 1 5 66.34 2.93 1.4102 -1 -1 5 66.40 1.34 1.4089 4 2 1 66.41 4.81 1.4087 -3 3 2 66.39 4.84 1.4092 -3 -3 2 66.58 1.67 1.4056 2 2 3 66.67 1.64 1.4039 2 -2 3 66.99 1.33 1.3980 3 1 3 66.95 4.36 1.3988 3 3 0 67.04 1.34 1.3971 3 -1 3 67.03 4.99 1.3973 -3 3 0 67.44 2.61 1.3897 -4 1 5 67.45 1.72 1.3895 -4 -1 5 67.68 3.23 1.3854 2 0 4 67.75 3.26 1.3841 0 0 5 67.91 1.01 1.3813 -1 -3 3 68.09 1.06 1.3780 -2 3 3 68.12 1.55 1.3775 -2 -3 3 68.22 1.54 1.3757 -5 2 3 68.18 1.58 1.3764 -5 -2 3 69.61 3.42 1.3516 -5 0 5 70.06 2.03 1.3440 -6 0 4 71.54 2.10 1.3198 2 3 2 71.64 1.84 1.3182 2 -3 2 72.34 1.17 1.3071 6 0 0 72.53 1.17 1.3041 -5 1 5 72.53 1.34 1.3041 -5 -1 5 75.14 1.48 1.2651 -1 -2 5 75.31 2.33 1.2626 4 2 2 75.41 1.97 1.2612 4 -2 2 76.17 1.76 1.2504 -4 2 5 76.19 1.72 1.2502 -4 -2 5 76.37 1.51 1.2477 5 0 2 76.75 1.90 1.2424 -6 -2 2 76.82 2.25 1.2415 -6 2 2 78.30 1.51 1.2216 0 4 1 78.33 1.42 1.2212 0 -4 1 78.58 1.13 1.2179 -2 1 6 79.18 1.30 1.2103 2 2 4 79.17 2.01 1.2104 5 1 2 79.22 1.61 1.2097 5 -1 2 79.25 1.78 1.2093 0 2 5 79.33 1.73 1.2083 0 -2 5 80.28 1.13 1.1964 0 3 4 80.38 1.18 1.1952 0 -3 4 80.86 1.84 1.1892 -7 -1 2 80.90 1.69 1.1887 -7 1 2 81.05 1.68 1.1870 -5 2 5 81.04 1.06 1.1870 -5 -2 5 81.49 1.22 1.1816 -6 2 4 81.45 1.12 1.1820 -6 -2 4 85.83 1.03 1.1326 2 1 5 87.98 1.12 1.1103 -2 -4 3 89.72 1.50 1.0931 7 1 0 89.78 1.26 1.0926 -7 1 0 89.78 1.26 1.0926 -7 1 0 XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.