Brushite Schofield P F, Knight K S, van der Houwen J A M, Valsami-Jones E Physics and Chemistry of Minerals 31 (2004) 606-624 The role of hydrogen bonding in the thermal expansion and dehydration of brushite, di-calcium phosphate dihydrate Sample: T = 70 K _database_code_amcsd 0008887 CELL PARAMETERS: 5.7997 15.1257 6.1857 90.000 116.425 90.000 SPACE GROUP: Ia X-RAY WAVELENGTH: 1.541838 Cell Volume: 485.941 Density (g/cm3): 2.352 MAX. ABS. INTENSITY / VOLUME**2: 10.11036972 RIR: 1.400 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.70 100.00 7.5628 0 2 0 2 18.06 1.81 4.9122 1 1 0 2 21.06 91.93 4.2180 -1 2 1 2 23.53 6.18 3.7814 0 4 0 2 24.61 1.83 3.6176 1 3 0 2 29.44 70.75 3.0337 -1 4 1 2 29.62 4.61 3.0161 -1 1 2 2 30.72 45.36 2.9101 1 2 1 2 31.42 8.64 2.8470 -2 1 1 2 32.32 1.51 2.7697 0 0 2 1 33.76 2.81 2.6550 0 5 1 2 34.13 3.91 2.6271 -1 3 2 2 34.30 5.39 2.6140 1 5 0 2 34.49 40.75 2.6008 0 2 2 2 34.54 26.68 2.5969 2 0 0 1 35.33 4.31 2.5408 -2 0 2 1 35.61 1.03 2.5210 0 6 0 2 35.73 2.60 2.5131 -2 3 1 2 37.13 13.79 2.4216 1 4 1 2 37.33 12.99 2.4086 -2 2 2 2 39.92 4.02 2.2583 -1 6 1 2 41.87 18.93 2.1575 -1 5 2 2 42.22 16.56 2.1407 2 4 0 2 42.88 2.03 2.1090 -2 4 2 2 43.23 5.79 2.0930 -2 5 1 2 43.76 7.97 2.0687 1 1 2 2 45.03 1.61 2.0131 0 7 1 2 45.07 3.08 2.0116 2 1 1 2 45.46 5.36 1.9950 1 7 0 2 45.83 7.18 1.9801 -1 2 3 2 46.33 5.94 1.9599 -2 1 3 2 47.10 1.26 1.9294 1 3 2 2 48.13 2.26 1.8907 0 8 0 2 48.40 4.20 1.8806 -3 1 2 2 48.85 15.62 1.8643 0 6 2 2 49.14 7.28 1.8541 -3 2 1 2 49.53 1.71 1.8402 -2 3 3 2 50.45 13.54 1.8088 2 6 0 2 50.62 11.49 1.8033 -1 4 3 2 51.03 9.73 1.7896 -2 6 2 2 51.51 1.13 1.7741 -3 3 2 2 51.58 2.47 1.7720 -1 8 1 2 52.80 1.13 1.7339 0 3 3 2 53.71 10.02 1.7066 -3 4 1 2 55.60 2.73 1.6529 -3 2 3 2 56.78 3.10 1.6215 1 8 1 2 57.29 1.50 1.6082 0 9 1 2 57.65 1.08 1.5990 1 9 0 2 57.95 3.58 1.5913 -1 6 3 2 59.17 3.01 1.5616 0 8 2 2 59.83 3.14 1.5459 -3 4 3 2 59.94 1.46 1.5433 2 2 2 2 60.12 6.25 1.5390 -2 0 4 1 60.58 3.91 1.5285 2 8 0 2 61.09 3.72 1.5168 -2 8 2 2 61.49 3.22 1.5081 -2 2 4 2 61.78 1.02 1.5016 1 7 2 2 64.25 2.06 1.4497 -1 10 1 2 64.27 2.13 1.4494 -4 0 2 1 64.30 4.00 1.4486 3 2 1 2 65.55 4.61 1.4240 1 4 3 2 65.58 1.43 1.4235 -4 2 2 2 66.50 1.47 1.4060 -3 6 3 2 66.54 1.14 1.4053 -4 1 1 2 67.52 1.39 1.3873 -4 1 3 2 67.65 3.08 1.3849 0 0 4 1 68.21 3.14 1.3749 3 4 1 2 68.85 5.25 1.3638 1 10 1 2 69.97 1.11 1.3445 -3 8 1 2 70.45 4.61 1.3366 2 6 2 2 70.57 1.16 1.3346 0 11 1 2 70.90 1.03 1.3293 1 11 0 2 71.87 1.90 1.3135 -2 6 4 2 72.72 1.52 1.3004 0 4 4 2 72.84 3.05 1.2984 4 0 0 1 74.09 2.19 1.2797 4 2 0 2 74.49 1.29 1.2737 3 6 1 2 75.33 1.82 1.2616 -3 8 3 2 75.69 1.82 1.2565 -4 6 2 2 78.12 1.07 1.2234 -1 12 1 2 78.57 2.58 1.2175 -1 10 3 2 78.86 1.93 1.2138 0 6 4 2 79.09 2.61 1.2108 2 8 2 2 80.46 1.58 1.1937 -3 2 5 2 80.47 1.00 1.1936 -2 8 4 2 80.53 1.64 1.1927 1 8 3 2 81.06 2.07 1.1864 -3 10 1 2 81.34 2.47 1.1830 -1 2 5 2 83.80 1.66 1.1543 4 6 0 2 84.06 1.72 1.1514 -3 4 5 2 84.16 1.09 1.1503 -4 -8 2 2 84.44 1.67 1.1473 0 12 2 2 84.94 1.75 1.1418 -1 4 5 2 85.61 3.43 1.1345 -4 6 4 2 86.12 2.50 1.1292 -2 12 2 2 86.20 3.70 1.1282 -3 10 3 2 87.27 1.87 1.1172 0 8 4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.