Whitlockite Calvo C, Gopal R American Mineralogist 60 (1975) 120-133 The crystal structure of whitlockite from the Palermo quarry _database_code_amcsd 0000445 CELL PARAMETERS: 10.3300 10.3300 37.1030 90.000 90.000 120.000 SPACE GROUP: R3c X-RAY WAVELENGTH: 1.541838 Cell Volume: 3428.785 Density (g/cm3): 3.099 MAX. ABS. INTENSITY / VOLUME**2: 10.34999299 RIR: 1.087 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.98 6.86 8.0580 0 1 2 3 13.75 29.69 6.4392 1 0 4 3 14.32 1.48 6.1838 0 0 6 1 17.17 42.72 5.1650 1 1 0 6 18.62 1.20 4.7661 1 1 3 6 21.58 2.38 4.1174 0 1 8 3 22.06 14.02 4.0290 0 2 4 3 26.00 36.08 3.4272 1 0 10 3 26.47 10.28 3.3673 2 1 1 6 26.80 6.96 3.3265 1 2 2 6 27.69 3.19 3.2220 1 1 9 6 28.09 63.78 3.1768 2 1 4 6 29.02 1.94 3.0769 1 2 5 6 29.96 10.48 2.9820 3 0 0 3 31.32 100.00 2.8557 0 2 10 3 32.78 30.68 2.7322 1 2 8 6 33.36 3.02 2.6860 0 3 6 3 33.36 3.65 2.6860 3 0 6 3 33.79 7.09 2.6529 1 1 12 6 34.74 84.91 2.5825 2 2 0 6 35.32 2.37 2.5411 0 1 14 3 35.51 2.96 2.5280 2 2 3 6 35.93 9.25 2.4992 2 1 10 6 36.29 5.20 2.4757 1 3 1 6 37.52 1.70 2.3969 1 3 4 6 37.67 1.24 2.3880 1 2 11 6 37.75 6.33 2.3830 2 2 6 6 39.52 2.20 2.2801 2 0 14 3 40.17 7.24 2.2447 1 0 16 3 40.43 2.79 2.2309 1 1 15 6 40.63 1.46 2.2204 0 4 2 3 41.25 1.30 2.1885 2 2 9 6 41.53 6.35 2.1742 4 0 4 3 42.10 3.19 2.1464 0 3 12 3 42.10 9.32 2.1464 3 0 12 3 43.38 3.66 2.0859 1 2 14 6 43.90 2.47 2.0625 1 3 10 6 43.93 2.25 2.0613 0 0 18 1 43.98 1.03 2.0587 0 2 16 3 44.20 2.58 2.0492 3 2 1 6 44.41 5.82 2.0399 2 3 2 6 45.00 12.43 2.0145 0 4 8 3 45.25 5.08 2.0039 3 2 4 6 45.78 6.98 1.9821 2 2 12 6 45.88 1.16 1.9781 2 3 5 6 46.52 1.31 1.9522 4 1 0 6 47.13 1.31 1.9283 1 4 3 6 47.47 26.83 1.9154 4 0 10 3 47.49 1.81 1.9145 1 1 18 6 48.51 15.69 1.8768 2 3 8 6 48.93 7.19 1.8616 1 4 6 6 48.93 6.35 1.8616 4 1 6 6 50.23 3.55 1.8165 0 1 20 3 50.84 10.34 1.7959 3 2 10 6 51.30 4.35 1.7809 5 0 2 3 51.82 2.48 1.7644 4 1 9 6 52.06 12.19 1.7568 0 5 4 3 52.17 1.01 1.7533 2 3 11 6 53.20 2.14 1.7217 3 3 0 6 53.47 40.71 1.7136 2 0 20 3 54.09 1.45 1.6956 0 3 18 3 54.09 5.23 1.6956 3 0 18 3 54.13 2.05 1.6942 1 3 16 6 55.01 4.69 1.6693 5 0 8 3 55.23 4.53 1.6632 2 4 4 6 55.68 2.66 1.6507 4 1 12 6 56.73 3.29 1.6227 2 3 14 6 57.16 1.91 1.6116 0 5 10 3 57.23 3.54 1.6098 4 0 16 3 58.06 2.12 1.5887 3 3 9 6 58.07 1.04 1.5884 4 2 8 6 58.28 2.52 1.5832 5 1 4 6 60.15 12.69 1.5385 2 4 10 6 60.21 9.61 1.5369 3 2 16 6 61.03 3.62 1.5182 1 5 8 6 61.44 2.33 1.5092 2 1 22 6 61.66 1.44 1.5042 3 3 12 6 62.27 4.26 1.4910 6 0 0 3 64.11 4.80 1.4526 4 3 4 6 65.12 1.14 1.4325 5 2 0 6 65.36 4.82 1.4279 0 4 20 3 65.90 1.63 1.4174 1 4 18 6 66.72 5.05 1.4019 3 4 8 6 67.06 2.93 1.3956 2 5 6 6 67.06 5.46 1.3956 5 2 6 6 68.13 2.12 1.3762 2 3 20 6 68.35 1.14 1.3725 0 3 24 3 68.65 1.12 1.3672 4 3 10 6 68.87 1.29 1.3633 1 6 1 6 71.80 1.26 1.3147 1 2 26 6 72.05 1.43 1.3108 1 0 28 3 72.55 1.19 1.3030 3 2 22 6 72.76 1.18 1.2998 2 5 12 6 72.76 1.17 1.2998 5 2 12 6 73.32 3.70 1.2912 4 4 0 6 73.67 1.04 1.2860 3 4 14 6 74.25 1.82 1.2772 3 5 1 6 74.41 2.11 1.2750 5 3 2 6 76.19 6.51 1.2496 4 2 20 6 76.74 1.09 1.2420 4 3 16 6 76.83 1.41 1.2407 5 1 19 6 77.04 1.43 1.2378 2 6 2 6 77.12 1.97 1.2368 0 0 30 1 77.47 1.52 1.2321 5 3 8 6 77.65 3.18 1.2296 6 2 4 6 79.00 1.50 1.2120 4 1 24 6 80.63 1.16 1.1915 4 4 12 6 81.17 2.21 1.1849 7 1 0 6 81.87 1.55 1.1766 6 2 10 6 81.89 1.94 1.1763 2 5 18 6 81.93 1.50 1.1759 1 6 16 6 82.29 3.14 1.1716 2 3 26 6 84.88 1.56 1.1424 3 0 30 3 85.21 1.14 1.1388 7 1 9 6 87.06 3.85 1.1193 7 0 16 3 87.42 2.12 1.1156 5 0 26 3 87.44 6.19 1.1155 2 2 30 6 87.66 2.08 1.1132 3 2 28 6 88.33 1.15 1.1065 1 7 12 6 88.33 1.38 1.1065 7 1 12 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.