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: Heated at 500 degrees C _database_code_amcsd 0004625 CELL PARAMETERS: 10.3597 10.3597 37.1610 90.000 90.000 120.000 SPACE GROUP: R3c X-RAY WAVELENGTH: 1.541838 Cell Volume: 3453.921 Density (g/cm3): 3.006 MAX. ABS. INTENSITY / VOLUME**2: 11.08704710 RIR: 1.201 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.95 15.41 8.0792 0 1 2 3 13.72 10.47 6.4537 1 0 4 3 14.30 1.17 6.1935 0 0 6 1 17.12 48.08 5.1799 1 1 0 6 20.37 4.00 4.3606 2 0 2 3 21.54 1.10 4.1250 0 1 8 3 22.00 14.24 4.0396 0 2 4 3 22.37 1.29 3.9734 1 1 6 6 25.95 35.03 3.4332 1 0 10 3 26.39 2.84 3.3770 2 1 1 6 26.72 8.69 3.3359 1 2 2 6 27.63 2.67 3.2287 1 1 9 6 27.64 1.76 3.2268 2 0 8 3 28.01 58.31 3.1854 2 1 4 6 28.83 1.30 3.0968 0 0 12 1 29.88 10.80 2.9906 3 0 0 3 31.26 100.00 2.8617 0 2 10 3 32.70 18.93 2.7389 1 2 8 6 33.27 4.33 2.6931 0 3 6 3 33.27 2.30 2.6931 3 0 6 3 33.72 3.41 2.6580 1 1 12 6 34.63 73.67 2.5899 2 2 0 6 35.26 2.96 2.5453 0 1 14 3 35.41 3.73 2.5351 2 2 3 6 35.85 13.67 2.5049 2 1 10 6 36.18 3.11 2.4828 1 3 1 6 37.41 2.21 2.4036 1 3 4 6 37.58 2.23 2.3933 1 2 11 6 37.65 5.10 2.3894 2 2 6 6 38.14 3.50 2.3596 3 1 5 6 40.10 5.78 2.2484 1 0 16 3 40.36 2.52 2.2349 1 1 15 6 41.31 1.07 2.1856 2 1 13 6 41.41 8.00 2.1803 4 0 4 3 42.00 3.73 2.1512 0 3 12 3 42.00 9.47 2.1512 3 0 12 3 43.29 2.27 2.0902 1 2 14 6 43.85 2.03 2.0645 0 0 18 1 43.90 1.34 2.0625 0 2 16 3 44.06 1.79 2.0551 3 2 1 6 44.28 3.31 2.0458 2 3 2 6 44.88 14.06 2.0198 0 4 8 3 45.12 2.79 2.0095 3 2 4 6 45.67 6.99 1.9867 2 2 12 6 46.99 1.53 1.9338 1 4 3 6 47.34 26.26 1.9203 4 0 10 3 47.40 1.78 1.9178 1 1 18 6 48.37 12.98 1.8818 2 3 8 6 48.78 5.73 1.8668 1 4 6 6 48.78 8.39 1.8668 4 1 6 6 50.14 3.34 1.8194 0 1 20 3 50.70 10.07 1.8005 3 2 10 6 51.14 4.08 1.7860 5 0 2 3 51.67 3.31 1.7690 4 1 9 6 51.90 9.35 1.7618 0 5 4 3 53.04 1.23 1.7266 3 3 0 6 53.37 33.28 1.7166 2 0 20 3 53.97 1.61 1.6990 0 3 18 3 53.97 3.23 1.6990 3 0 18 3 54.01 1.79 1.6979 1 3 16 6 54.85 5.34 1.6738 5 0 8 3 55.06 4.05 1.6680 2 4 4 6 55.53 1.96 1.6548 4 1 12 6 56.58 2.66 1.6265 2 3 14 6 57.09 3.44 1.6134 4 0 16 3 57.89 2.03 1.5929 3 3 9 6 57.90 1.26 1.5927 4 2 8 6 58.10 1.71 1.5877 5 1 4 6 59.97 9.06 1.5425 2 4 10 6 60.06 6.41 1.5404 3 2 16 6 60.85 2.15 1.5224 1 5 8 6 61.31 2.04 1.5119 2 1 22 6 61.49 1.05 1.5081 3 3 12 6 62.07 3.69 1.4953 6 0 0 3 63.91 4.39 1.4567 4 3 4 6 64.91 2.12 1.4366 5 2 0 6 65.20 4.60 1.4309 0 4 20 3 65.73 1.18 1.4206 1 4 18 6 66.51 4.37 1.4058 3 4 8 6 66.85 2.17 1.3995 2 5 6 6 66.85 3.85 1.3995 5 2 6 6 67.97 2.38 1.3792 2 3 20 6 68.20 1.00 1.3750 0 3 24 3 68.64 1.09 1.3673 1 6 1 6 73.07 4.41 1.2950 4 4 0 6 73.45 1.11 1.2893 3 4 14 6 74.00 2.09 1.2809 3 5 1 6 74.16 1.29 1.2786 5 3 2 6 75.98 7.41 1.2524 4 2 20 6 76.51 1.29 1.2451 4 3 16 6 76.61 1.14 1.2437 5 1 19 6 76.78 1.19 1.2414 2 6 2 6 76.98 1.78 1.2387 0 0 30 1 77.21 1.22 1.2355 5 3 8 6 77.39 3.17 1.2332 6 2 4 6 78.81 1.18 1.2145 4 1 24 6 80.37 1.32 1.1947 4 4 12 6 80.89 1.55 1.1883 7 1 0 6 81.60 1.46 1.1798 6 2 10 6 81.65 2.37 1.1792 2 5 18 6 82.09 3.07 1.1740 2 3 26 6 84.70 1.66 1.1444 3 0 30 3 86.79 2.98 1.1222 7 0 16 3 87.19 1.88 1.1180 5 0 26 3 87.24 5.52 1.1175 2 2 30 6 87.44 1.97 1.1154 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.