Whitlockite Hughes J M, Jolliff B L, Rakovan J American Mineralogist 93 (2008) 1300-1305 The crystal chemistry of whitlockite and merrillite and the dehydrogenation of whitlockite to merrillite Locality: synthetic Note: Standard temperature and pressure _database_code_amcsd 0004624 CELL PARAMETERS: 10.3571 10.3571 37.1380 90.000 90.000 120.000 SPACE GROUP: R3c X-RAY WAVELENGTH: 1.541838 Cell Volume: 3450.051 Density (g/cm3): 3.045 MAX. ABS. INTENSITY / VOLUME**2: 10.91757728 RIR: 1.167 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.95 9.73 8.0766 0 1 2 3 13.73 15.19 6.4509 1 0 4 3 17.12 45.24 5.1785 1 1 0 6 20.37 4.63 4.3594 2 0 2 3 21.55 1.90 4.1228 0 1 8 3 22.01 15.68 4.0383 0 2 4 3 22.38 1.90 3.9718 1 1 6 6 25.97 38.42 3.4313 1 0 10 3 26.40 3.56 3.3761 2 1 1 6 26.73 9.10 3.3350 1 2 2 6 27.64 2.96 3.2272 1 1 9 6 27.66 1.71 3.2254 2 0 8 3 28.02 58.68 3.1845 2 1 4 6 29.88 11.47 2.9898 3 0 0 3 31.27 100.00 2.8604 0 2 10 3 32.71 19.02 2.7378 1 2 8 6 33.28 4.36 2.6922 0 3 6 3 33.28 2.38 2.6922 3 0 6 3 33.74 3.84 2.6566 1 1 12 6 34.64 73.17 2.5893 2 2 0 6 35.28 3.50 2.5438 0 1 14 3 35.42 4.61 2.5344 2 2 3 6 35.87 13.67 2.5038 2 1 10 6 36.19 2.75 2.4821 1 3 1 6 37.43 2.65 2.4029 1 3 4 6 37.60 2.44 2.3922 1 2 11 6 37.66 5.54 2.3887 2 2 6 6 38.15 4.05 2.3589 3 1 5 6 40.13 6.34 2.2471 1 0 16 3 40.38 2.56 2.2337 1 1 15 6 41.33 1.27 2.1846 2 1 13 6 41.43 8.33 2.1797 4 0 4 3 42.02 3.81 2.1503 0 3 12 3 42.02 9.98 2.1503 3 0 12 3 43.31 2.45 2.0892 1 2 14 6 43.88 2.04 2.0632 0 0 18 1 43.92 1.30 2.0614 0 2 16 3 44.08 2.21 2.0546 3 2 1 6 44.29 3.40 2.0452 2 3 2 6 44.89 14.31 2.0192 0 4 8 3 45.13 2.96 2.0090 3 2 4 6 45.68 6.84 1.9859 2 2 12 6 47.00 1.46 1.9333 1 4 3 6 47.36 27.06 1.9196 4 0 10 3 47.43 1.92 1.9167 1 1 18 6 48.38 13.59 1.8812 2 3 8 6 48.80 6.03 1.8662 1 4 6 6 48.80 8.41 1.8662 4 1 6 6 50.17 3.24 1.8183 0 1 20 3 50.72 10.04 1.7999 3 2 10 6 51.16 4.14 1.7856 5 0 2 3 51.69 3.21 1.7684 4 1 9 6 51.91 9.57 1.7613 0 5 4 3 53.05 1.19 1.7262 3 3 0 6 53.40 33.65 1.7157 2 0 20 3 54.00 1.63 1.6981 0 3 18 3 54.00 3.36 1.6981 3 0 18 3 54.03 1.75 1.6971 1 3 16 6 54.16 1.10 1.6933 2 1 19 6 54.87 5.38 1.6733 5 0 8 3 55.07 4.10 1.6675 2 4 4 6 55.55 1.87 1.6542 4 1 12 6 56.61 2.74 1.6259 2 3 14 6 57.11 3.39 1.6127 4 0 16 3 57.91 2.23 1.5925 3 3 9 6 57.92 1.30 1.5923 4 2 8 6 58.12 1.73 1.5873 5 1 4 6 59.99 9.21 1.5420 2 4 10 6 60.09 6.29 1.5398 3 2 16 6 60.87 2.24 1.5219 1 5 8 6 61.35 2.08 1.5111 2 1 22 6 61.51 1.02 1.5075 3 3 12 6 62.09 3.81 1.4949 6 0 0 3 63.92 4.39 1.4563 4 3 4 6 64.93 2.11 1.4363 5 2 0 6 65.24 4.71 1.4302 0 4 20 3 65.76 1.24 1.4200 1 4 18 6 66.53 4.39 1.4054 3 4 8 6 66.87 2.25 1.3991 2 5 6 6 66.87 3.86 1.3991 5 2 6 6 66.99 1.02 1.3969 1 3 22 6 68.00 2.44 1.3786 2 3 20 6 68.25 1.03 1.3743 0 3 24 3 68.66 1.12 1.3669 1 6 1 6 71.97 1.02 1.3121 1 0 28 3 73.09 4.43 1.2946 4 4 0 6 73.48 1.13 1.2888 3 4 14 6 74.03 2.15 1.2806 3 5 1 6 74.18 1.30 1.2783 5 3 2 6 76.02 7.44 1.2519 4 2 20 6 76.54 1.35 1.2447 4 3 16 6 76.65 1.17 1.2432 5 1 19 6 76.80 1.23 1.2411 2 6 2 6 77.03 1.78 1.2379 0 0 30 1 77.24 1.24 1.2352 5 3 8 6 77.41 3.29 1.2328 6 2 4 6 78.85 1.18 1.2139 4 1 24 6 80.40 1.34 1.1943 4 4 12 6 80.92 1.62 1.1880 7 1 0 6 81.63 1.44 1.1795 6 2 10 6 81.69 2.44 1.1788 2 5 18 6 82.14 3.17 1.1734 2 3 26 6 84.76 1.68 1.1438 3 0 30 3 86.82 3.08 1.1218 7 0 16 3 87.25 1.89 1.1174 5 0 26 3 87.30 5.49 1.1169 2 2 30 6 87.50 1.97 1.1148 3 2 28 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.