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 = 60 K _database_code_amcsd 0008886 CELL PARAMETERS: 5.7994 15.1250 6.1850 90.000 116.426 90.000 SPACE GROUP: Ia X-RAY WAVELENGTH: 1.541838 Cell Volume: 485.835 Density (g/cm3): 2.352 MAX. ABS. INTENSITY / VOLUME**2: 10.07021958 RIR: 1.394 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.70 100.00 7.5625 0 2 0 2 18.06 1.85 4.9119 1 1 0 2 21.06 92.65 4.2177 -1 2 1 2 23.53 6.33 3.7812 0 4 0 2 24.61 1.86 3.6175 1 3 0 2 29.44 70.95 3.0335 -1 4 1 2 29.62 4.59 3.0158 -1 1 2 2 30.73 45.67 2.9099 1 2 1 2 31.42 8.71 2.8469 -2 1 1 2 32.33 1.56 2.7694 0 0 2 1 33.76 2.89 2.6549 0 5 1 2 34.13 3.94 2.6269 -1 3 2 2 34.31 5.34 2.6139 1 5 0 2 34.49 40.81 2.6005 0 2 2 2 34.54 26.80 2.5967 2 0 0 1 35.33 4.36 2.5407 -2 0 2 1 35.61 1.04 2.5208 0 6 0 2 35.73 2.58 2.5129 -2 3 1 2 37.13 13.65 2.4214 1 4 1 2 37.34 13.03 2.4084 -2 2 2 2 39.92 4.04 2.2582 -1 6 1 2 41.87 19.08 2.1574 -1 5 2 2 42.22 16.74 2.1406 2 4 0 2 42.88 2.07 2.1088 -2 4 2 2 43.23 5.77 2.0929 -2 5 1 2 43.76 7.98 2.0685 1 1 2 2 45.04 1.66 2.0130 0 7 1 2 45.07 3.14 2.0115 2 1 1 2 45.47 5.34 1.9949 1 7 0 2 45.83 7.25 1.9799 -1 2 3 2 46.33 5.95 1.9597 -2 1 3 2 47.11 1.24 1.9292 1 3 2 2 48.13 2.23 1.8906 0 8 0 2 48.40 4.20 1.8805 -3 1 2 2 48.86 15.69 1.8642 0 6 2 2 49.14 7.29 1.8540 -3 2 1 2 49.54 1.69 1.8400 -2 3 3 2 50.46 13.59 1.8087 2 6 0 2 50.62 11.57 1.8032 -1 4 3 2 51.04 9.79 1.7895 -2 6 2 2 51.52 1.12 1.7740 -3 3 2 2 51.58 2.50 1.7719 -1 8 1 2 52.81 1.13 1.7337 0 3 3 2 53.31 1.00 1.7184 1 5 2 2 53.71 10.08 1.7065 -3 4 1 2 55.60 2.76 1.6528 -3 2 3 2 56.78 3.14 1.6214 1 8 1 2 57.29 1.51 1.6082 0 9 1 2 57.65 1.07 1.5989 1 9 0 2 57.96 3.55 1.5911 -1 6 3 2 59.17 3.00 1.5615 0 8 2 2 59.83 3.12 1.5458 -3 4 3 2 59.94 1.45 1.5431 2 2 2 2 60.13 6.30 1.5388 -2 0 4 1 60.58 3.88 1.5284 2 8 0 2 61.10 3.71 1.5168 -2 8 2 2 61.49 3.25 1.5079 -2 2 4 2 61.78 1.04 1.5015 1 7 2 2 64.25 2.05 1.4496 -1 10 1 2 64.27 2.14 1.4493 -4 0 2 1 64.31 4.04 1.4485 3 2 1 2 65.56 4.66 1.4239 1 4 3 2 65.58 1.42 1.4234 -4 2 2 2 66.51 1.46 1.4059 -3 6 3 2 66.54 1.15 1.4052 -4 1 1 2 67.52 1.41 1.3872 -4 1 3 2 67.66 3.08 1.3847 0 0 4 1 68.21 3.10 1.3748 3 4 1 2 68.85 5.27 1.3637 1 10 1 2 69.97 1.14 1.3445 -3 8 1 2 70.45 4.65 1.3365 2 6 2 2 70.58 1.17 1.3345 0 11 1 2 70.90 1.06 1.3292 1 11 0 2 71.88 1.92 1.3134 -2 6 4 2 72.73 1.55 1.3002 0 4 4 2 72.85 3.05 1.2984 4 0 0 1 74.09 2.20 1.2796 4 2 0 2 74.50 1.29 1.2736 3 6 1 2 75.34 1.84 1.2616 -3 8 3 2 75.69 1.82 1.2565 -4 6 2 2 78.13 1.05 1.2233 -1 12 1 2 78.58 2.59 1.2174 -1 10 3 2 78.87 1.95 1.2136 0 6 4 2 79.10 2.64 1.2107 2 8 2 2 80.47 1.58 1.1936 -3 2 5 2 80.54 1.67 1.1926 1 8 3 2 81.06 2.06 1.1863 -3 10 1 2 81.35 2.48 1.1828 -1 2 5 2 83.81 1.68 1.1543 4 6 0 2 84.07 1.74 1.1513 -3 4 5 2 84.17 1.09 1.1502 -4 -8 2 2 84.44 1.69 1.1472 0 12 2 2 84.95 1.74 1.1417 -1 4 5 2 85.62 3.47 1.1344 -4 6 4 2 86.12 2.52 1.1291 -2 12 2 2 86.21 3.72 1.1282 -3 10 3 2 87.28 1.86 1.1171 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.