Whitlockite Schroeder L W, Dickens B, Brown W E Journal of Solid State Chemistry 22 (1977) 253-262 Crystallographic studies of the role of Mg as a stabilizing impurity in beta-Ca3(PO4)2. II. Refinement of Mg-containing beta-Ca3(PO4)2 Locality: synthetic Sample: x = 0.11 Mg Note: changed sign of O3(y) to match bond distances _database_code_amcsd 0013351 CELL PARAMETERS: 10.4010 10.4010 37.3160 90.000 90.000 120.000 SPACE GROUP: R3c X-RAY WAVELENGTH: 1.541838 Cell Volume: 3496.036 Density (g/cm3): 3.076 MAX. ABS. INTENSITY / VOLUME**2: 11.80898272 RIR: 1.250 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.91 12.82 8.1117 0 1 2 3 13.67 20.21 6.4800 1 0 4 3 14.24 3.45 6.2193 0 0 6 1 17.05 23.62 5.2005 1 1 0 6 18.49 1.28 4.7980 1 1 3 6 20.28 5.72 4.3780 2 0 2 3 21.45 1.38 4.1421 0 1 8 3 21.91 11.50 4.0559 0 2 4 3 22.28 1.06 3.9895 1 1 6 6 25.84 24.79 3.4475 1 0 10 3 26.29 3.49 3.3904 2 1 1 6 26.62 7.13 3.3492 1 2 2 6 27.51 3.41 3.2420 1 1 9 6 27.53 1.63 3.2400 2 0 8 3 27.90 51.99 3.1982 2 1 4 6 29.76 11.57 3.0025 3 0 0 3 31.13 100.00 2.8734 0 2 10 3 32.56 19.59 2.7499 1 2 8 6 33.13 3.02 2.7039 0 3 6 3 33.13 3.89 2.7039 3 0 6 3 33.58 5.90 2.6689 1 1 12 6 34.49 66.81 2.6003 2 2 0 6 35.11 3.64 2.5559 0 1 14 3 35.26 5.55 2.5452 2 2 3 6 35.70 11.24 2.5151 2 1 10 6 36.03 3.43 2.4927 1 3 1 6 37.42 1.34 2.4031 1 2 11 6 37.49 6.26 2.3990 2 2 6 6 37.98 4.46 2.3690 3 1 5 6 39.93 8.96 2.2578 1 0 16 3 40.18 2.34 2.2442 1 1 15 6 40.34 1.03 2.2357 0 4 2 3 41.24 9.68 2.1890 4 0 4 3 41.82 1.78 2.1600 0 3 12 3 41.82 9.60 2.1600 3 0 12 3 43.10 1.27 2.0987 1 2 14 6 43.60 3.03 2.0760 1 3 10 6 43.66 2.13 2.0731 0 0 18 1 43.71 1.40 2.0710 0 2 16 3 43.88 1.90 2.0633 3 2 1 6 44.09 4.63 2.0539 2 3 2 6 44.69 7.20 2.0279 0 4 8 3 44.93 3.50 2.0176 3 2 4 6 45.07 1.22 2.0116 3 1 11 6 45.47 4.35 1.9948 2 2 12 6 46.79 1.38 1.9415 1 4 3 6 47.14 22.59 1.9280 4 0 10 3 48.16 13.59 1.8894 2 3 8 6 48.58 7.45 1.8742 1 4 6 6 48.58 5.13 1.8742 4 1 6 6 49.92 3.48 1.8270 0 1 20 3 50.48 4.88 1.8078 3 2 10 6 50.93 4.22 1.7932 5 0 2 3 51.45 3.26 1.7761 4 1 9 6 51.68 7.49 1.7688 0 5 4 3 52.81 2.28 1.7335 3 3 0 6 53.13 26.06 1.7237 2 0 20 3 53.73 1.60 1.7060 0 3 18 3 53.73 4.96 1.7060 3 0 18 3 53.77 1.71 1.7048 1 3 16 6 53.89 1.10 1.7012 2 1 19 6 54.61 5.16 1.6805 5 0 8 3 54.82 1.62 1.6746 2 4 4 6 55.29 1.13 1.6615 1 4 12 6 55.29 1.85 1.6615 4 1 12 6 56.22 1.55 1.6362 1 2 20 6 56.33 3.33 1.6331 2 3 14 6 56.74 1.43 1.6223 0 5 10 3 56.83 1.67 1.6200 4 0 16 3 57.64 2.23 1.5993 3 3 9 6 57.64 2.61 1.5991 4 2 8 6 57.85 2.38 1.5940 5 1 4 6 59.71 6.85 1.5487 2 4 10 6 59.79 7.20 1.5467 3 2 16 6 60.58 2.41 1.5285 1 5 8 6 61.03 3.35 1.5182 2 1 22 6 61.21 1.25 1.5141 3 3 12 6 61.80 3.31 1.5013 6 0 0 3 63.62 4.22 1.4625 4 3 4 6 64.62 1.36 1.4424 5 2 0 6 64.90 2.25 1.4367 0 4 20 3 65.43 1.53 1.4264 1 4 18 6 66.21 2.79 1.4114 3 4 8 6 66.55 1.28 1.4051 2 5 6 6 66.55 3.97 1.4051 5 2 6 6 67.65 3.58 1.3848 2 3 20 6 68.33 1.22 1.3727 1 6 1 6 71.31 1.76 1.3225 1 2 26 6 72.20 1.07 1.3085 5 2 12 6 72.73 2.86 1.3001 4 4 0 6 73.66 2.27 1.2860 3 5 1 6 73.82 2.05 1.2837 5 3 2 6 75.62 4.08 1.2575 4 2 20 6 76.25 1.19 1.2487 5 1 19 6 76.42 2.30 1.2463 2 6 2 6 76.60 1.40 1.2439 0 0 30 1 77.02 1.48 1.2381 6 2 4 6 79.99 1.39 1.1995 4 4 12 6 80.51 1.73 1.1931 7 1 0 6 81.25 1.57 1.1840 2 5 18 6 81.28 1.01 1.1836 1 6 16 6 82.37 1.10 1.1707 5 1 22 6 86.35 2.52 1.1267 7 0 16 3 86.75 2.09 1.1225 5 0 26 3 86.79 5.99 1.1221 2 2 30 6 86.99 1.38 1.1200 3 2 28 6 87.59 1.16 1.1139 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.