Whitlockite Gopal R, Calvo C, Ito J, Sabine W K Canadian Journal of Chemistry 52 (1974) 1155-1164 Crystal structure of synthetic Mg-whitlockite, Ca18Mg2H2(PO4)14 Locality: synthetic _database_code_amcsd 0012160 CELL PARAMETERS: 10.3500 10.3500 37.0850 90.000 90.000 120.000 SPACE GROUP: R3c X-RAY WAVELENGTH: 1.541838 Cell Volume: 3440.406 Density (g/cm3): 3.040 MAX. ABS. INTENSITY / VOLUME**2: 10.92065190 RIR: 1.170 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.96 9.29 8.0700 0 1 2 3 13.74 13.93 6.4442 1 0 4 3 17.13 48.61 5.1750 1 1 0 6 20.39 4.68 4.3562 2 0 2 3 21.58 1.81 4.1176 0 1 8 3 22.03 15.34 4.0350 0 2 4 3 22.41 2.63 3.9679 1 1 6 6 26.00 40.04 3.4268 1 0 10 3 26.42 3.77 3.3738 2 1 1 6 26.75 9.79 3.3327 1 2 2 6 27.67 3.06 3.2235 1 1 9 6 27.69 1.50 3.2221 2 0 8 3 28.04 57.97 3.1820 2 1 4 6 29.91 12.06 2.9878 3 0 0 3 31.31 100.00 2.8572 0 2 10 3 32.74 19.00 2.7352 1 2 8 6 33.31 5.03 2.6900 0 3 6 3 33.31 2.58 2.6900 3 0 6 3 33.78 3.71 2.6533 1 1 12 6 34.67 72.25 2.5875 2 2 0 6 35.33 3.78 2.5403 0 1 14 3 35.44 4.79 2.5326 2 2 3 6 35.90 14.58 2.5013 2 1 10 6 36.22 2.95 2.4804 1 3 1 6 37.45 3.22 2.4012 1 3 4 6 37.64 2.79 2.3897 1 2 11 6 37.69 5.27 2.3868 2 2 6 6 38.18 4.20 2.3571 3 1 5 6 40.19 6.15 2.2440 1 0 16 3 40.43 2.87 2.2308 1 1 15 6 41.38 1.36 2.1821 2 1 13 6 41.46 8.73 2.1781 4 0 4 3 42.06 4.00 2.1481 0 3 12 3 42.06 10.81 2.1481 3 0 12 3 43.36 2.44 2.0868 1 2 14 6 43.95 1.97 2.0603 0 0 18 1 43.98 1.31 2.0588 0 2 16 3 44.11 2.31 2.0532 3 2 1 6 44.32 3.27 2.0438 2 3 2 6 44.93 14.78 2.0175 0 4 8 3 45.16 3.04 2.0075 3 2 4 6 45.73 6.74 1.9839 2 2 12 6 47.04 1.59 1.9319 1 4 3 6 47.40 27.39 1.9179 4 0 10 3 47.50 2.31 1.9142 1 1 18 6 48.43 14.35 1.8797 2 3 8 6 48.84 6.21 1.8648 1 4 6 6 48.84 9.08 1.8648 4 1 6 6 50.25 3.42 1.8158 0 1 20 3 50.77 10.95 1.7984 3 2 10 6 51.19 4.52 1.7844 5 0 2 3 51.73 3.54 1.7670 4 1 9 6 51.95 9.86 1.7601 0 5 4 3 53.09 1.19 1.7250 3 3 0 6 53.48 34.70 1.7134 2 0 20 3 54.07 1.79 1.6961 0 3 18 3 54.07 3.19 1.6961 3 0 18 3 54.10 1.84 1.6953 1 3 16 6 54.24 1.17 1.6912 2 1 19 6 54.91 5.31 1.6720 5 0 8 3 55.12 4.35 1.6663 2 4 4 6 55.61 1.86 1.6528 4 1 12 6 56.67 2.67 1.6243 2 3 14 6 57.18 3.68 1.6110 4 0 16 3 57.96 2.42 1.5912 3 3 9 6 57.97 1.42 1.5910 4 2 8 6 58.16 1.69 1.5861 5 1 4 6 60.04 9.51 1.5408 2 4 10 6 60.16 6.45 1.5382 3 2 16 6 60.92 2.29 1.5208 1 5 8 6 61.44 1.97 1.5092 2 1 22 6 61.57 1.03 1.5062 3 3 12 6 62.13 3.83 1.4939 6 0 0 3 63.97 4.47 1.4553 4 3 4 6 64.98 2.22 1.4353 5 2 0 6 65.32 5.11 1.4286 0 4 20 3 65.84 1.27 1.4185 1 4 18 6 66.59 4.54 1.4043 3 4 8 6 66.93 2.46 1.3981 2 5 6 6 66.93 3.94 1.3981 5 2 6 6 67.09 1.30 1.3952 1 3 22 6 68.09 2.45 1.3771 2 3 20 6 68.34 1.10 1.3725 0 3 24 3 68.52 1.05 1.3694 4 3 10 6 68.72 1.20 1.3660 1 6 1 6 72.08 1.06 1.3102 1 0 28 3 73.15 4.61 1.2938 4 4 0 6 73.55 1.26 1.2877 3 4 14 6 74.09 2.36 1.2797 3 5 1 6 74.24 1.38 1.2774 5 3 2 6 76.11 7.96 1.2506 4 2 20 6 76.62 1.57 1.2435 4 3 16 6 76.74 1.30 1.2419 5 1 19 6 76.87 1.32 1.2402 2 6 2 6 77.16 1.95 1.2362 0 0 30 1 77.31 1.35 1.2343 5 3 8 6 77.48 3.54 1.2320 6 2 4 6 78.96 1.33 1.2125 4 1 24 6 80.48 1.45 1.1934 4 4 12 6 80.98 1.68 1.1872 7 1 0 6 81.71 1.53 1.1786 6 2 10 6 81.78 2.86 1.1777 2 5 18 6 82.26 3.84 1.1720 2 3 26 6 83.93 1.13 1.1529 5 3 14 6 84.89 1.93 1.1423 3 0 30 3 86.92 3.36 1.1208 7 0 16 3 87.37 2.03 1.1162 5 0 26 3 87.44 5.64 1.1154 2 2 30 6 87.63 2.15 1.1135 3 2 28 6 88.15 1.03 1.1083 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.