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 = 225 K _database_code_amcsd 0008895 CELL PARAMETERS: 5.8062 15.1482 6.2118 90.000 116.410 90.000 SPACE GROUP: Ia X-RAY WAVELENGTH: 1.541838 Cell Volume: 489.329 Density (g/cm3): 2.336 MAX. ABS. INTENSITY / VOLUME**2: 10.14783972 RIR: 1.415 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.68 100.00 7.5741 0 2 0 2 18.04 1.88 4.9185 1 1 0 2 21.02 91.28 4.2269 -1 2 1 2 23.49 6.03 3.7871 0 4 0 2 24.57 1.86 3.6226 1 3 0 2 29.39 69.27 3.0392 -1 4 1 2 29.50 4.39 3.0279 -1 1 2 2 30.64 45.66 2.9177 1 2 1 2 31.38 8.06 2.8503 -2 1 1 2 32.18 1.54 2.7817 0 0 2 1 33.68 2.77 2.6607 0 5 1 2 34.01 3.92 2.6358 -1 3 2 2 34.25 5.02 2.6178 1 5 0 2 34.34 38.90 2.6112 0 2 2 2 34.49 25.38 2.6001 2 0 0 1 35.24 4.22 2.5470 -2 0 2 1 35.56 1.09 2.5247 0 6 0 2 35.68 2.43 2.5162 -2 3 1 2 37.04 13.19 2.4271 1 4 1 2 37.25 12.73 2.4141 -2 2 2 2 39.85 3.82 2.2621 -1 6 1 2 41.75 18.25 2.1634 -1 5 2 2 42.16 16.04 2.1435 2 4 0 2 42.79 1.80 2.1134 -2 4 2 2 43.17 5.25 2.0958 -2 5 1 2 43.60 7.77 2.0759 1 1 2 2 44.95 1.52 2.0168 0 7 1 2 44.97 2.82 2.0159 2 1 1 2 45.39 4.81 1.9979 1 7 0 2 45.62 6.68 1.9884 -1 2 3 2 46.16 5.36 1.9666 -2 1 3 2 46.94 1.10 1.9356 1 3 2 2 48.05 2.17 1.8935 0 8 0 2 48.32 4.06 1.8834 -3 1 2 2 48.71 14.89 1.8695 0 6 2 2 49.09 7.05 1.8560 -3 2 1 2 49.37 1.64 1.8461 -2 3 3 2 50.38 13.07 1.8113 2 6 0 2 50.42 11.46 1.8100 -1 4 3 2 50.93 9.39 1.7931 -2 6 2 2 51.43 1.00 1.7767 -3 3 2 2 51.49 2.38 1.7749 -1 8 1 2 52.57 1.16 1.7408 0 3 3 2 53.65 9.46 1.7085 -3 4 1 2 55.46 2.52 1.6568 -3 2 3 2 56.66 2.92 1.6245 1 8 1 2 57.18 1.43 1.6110 0 9 1 2 57.75 3.40 1.5964 -1 6 3 2 59.01 3.01 1.5653 0 8 2 2 59.68 3.08 1.5494 -3 4 3 2 59.76 1.34 1.5475 2 2 2 2 59.86 6.03 1.5451 -2 0 4 1 60.48 3.68 1.5307 2 8 0 2 60.97 3.63 1.5196 -2 8 2 2 61.22 3.19 1.5140 -2 2 4 2 64.14 2.00 1.4520 -1 10 1 2 64.17 3.83 1.4513 3 2 1 2 64.18 2.00 1.4511 -4 0 2 1 65.30 4.45 1.4290 1 4 3 2 65.49 1.35 1.4252 -4 2 2 2 66.34 1.29 1.4090 -3 6 3 2 67.32 2.72 1.3909 0 0 4 1 67.39 1.18 1.3897 -4 1 3 2 68.07 3.02 1.3774 3 4 1 2 68.71 4.93 1.3661 1 10 1 2 69.87 1.04 1.3462 -3 8 1 2 70.25 4.17 1.3399 2 6 2 2 70.44 1.00 1.3368 0 11 1 2 71.60 1.78 1.3179 -2 6 4 2 72.38 1.41 1.3056 0 4 4 2 72.74 2.88 1.3001 4 0 0 1 73.98 2.08 1.2813 4 2 0 2 74.34 1.13 1.2759 3 6 1 2 75.15 1.67 1.2641 -3 8 3 2 75.58 1.76 1.2581 -4 6 2 2 78.34 2.38 1.2205 -1 10 3 2 78.52 1.91 1.2182 0 6 4 2 78.88 2.52 1.2135 2 8 2 2 80.10 1.56 1.1980 -3 2 5 2 80.25 1.50 1.1962 1 8 3 2 80.91 2.38 1.1882 -1 2 5 2 80.93 1.93 1.1879 -3 10 1 2 83.67 1.51 1.1558 4 6 0 2 83.70 1.61 1.1555 -3 4 5 2 84.03 1.02 1.1518 -4 -8 2 2 84.23 1.49 1.1495 0 12 2 2 84.50 1.58 1.1466 -1 4 5 2 85.38 3.15 1.1370 -4 6 4 2 85.94 2.19 1.1311 -2 12 2 2 86.00 3.38 1.1304 -3 10 3 2 86.90 1.70 1.1210 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.