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 = 300 K _database_code_amcsd 0008898 CELL PARAMETERS: 5.8105 15.1758 6.2337 90.000 116.405 90.000 SPACE GROUP: Ia X-RAY WAVELENGTH: 1.541838 Cell Volume: 492.335 Density (g/cm3): 2.321 MAX. ABS. INTENSITY / VOLUME**2: 10.18421819 RIR: 1.429 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.66 100.00 7.5879 0 2 0 2 18.02 1.85 4.9229 1 1 0 2 20.98 90.73 4.2349 -1 2 1 2 23.45 5.99 3.7940 0 4 0 2 24.54 1.80 3.6274 1 3 0 2 29.33 67.79 3.0448 -1 4 1 2 29.40 4.17 3.0379 -1 1 2 2 30.58 45.75 2.9238 1 2 1 2 31.36 7.43 2.8527 -2 1 1 2 32.06 1.64 2.7917 0 0 2 1 33.61 2.76 2.6666 0 5 1 2 33.91 3.88 2.6436 -1 3 2 2 34.20 4.94 2.6219 1 5 0 2 34.22 37.69 2.6200 0 2 2 2 34.47 24.57 2.6022 2 0 0 1 35.17 4.06 2.5519 -2 0 2 1 35.49 1.19 2.5293 0 6 0 2 35.64 2.38 2.5188 -2 3 1 2 36.96 12.86 2.4319 1 4 1 2 37.17 12.39 2.4188 -2 2 2 2 39.77 3.58 2.2663 -1 6 1 2 41.64 17.93 2.1690 -1 5 2 2 42.11 15.80 2.1459 2 4 0 2 42.70 1.72 2.1175 -2 4 2 2 43.11 4.89 2.0984 -2 5 1 2 43.48 7.56 2.0816 1 1 2 2 44.85 1.42 2.0210 0 7 1 2 44.90 2.71 2.0190 2 1 1 2 45.31 4.53 2.0013 1 7 0 2 45.46 6.32 1.9954 -1 2 3 2 46.02 4.95 1.9723 -2 1 3 2 47.96 2.11 1.8970 0 8 0 2 48.27 3.90 1.8855 -3 1 2 2 48.57 14.35 1.8744 0 6 2 2 49.05 6.90 1.8572 -3 2 1 2 49.22 1.68 1.8512 -2 3 3 2 50.24 11.46 1.8159 -1 4 3 2 50.31 12.79 1.8137 2 6 0 2 50.83 9.20 1.7964 -2 6 2 2 51.39 2.40 1.7781 -1 8 1 2 52.38 1.18 1.7467 0 3 3 2 53.60 9.16 1.7099 -3 4 1 2 55.34 2.39 1.6600 -3 2 3 2 56.54 2.90 1.6276 1 8 1 2 57.06 1.40 1.6142 0 9 1 2 57.57 3.19 1.6011 -1 6 3 2 58.86 2.99 1.5690 0 8 2 2 59.55 3.07 1.5523 -3 4 3 2 59.62 1.26 1.5508 2 2 2 2 59.64 5.87 1.5503 -2 0 4 1 60.39 3.55 1.5329 2 8 0 2 60.85 3.54 1.5224 -2 8 2 2 61.00 3.14 1.5189 -2 2 4 2 64.01 2.00 1.4546 -1 10 1 2 64.08 3.75 1.4532 3 2 1 2 64.13 1.93 1.4522 -4 0 2 1 65.09 4.36 1.4331 1 4 3 2 65.43 1.31 1.4263 -4 2 2 2 66.20 1.18 1.4116 -3 6 3 2 67.05 2.55 1.3958 0 0 4 1 67.29 1.09 1.3915 -4 1 3 2 67.96 2.93 1.3793 3 4 1 2 68.56 4.73 1.3687 1 10 1 2 70.09 3.96 1.3426 2 6 2 2 71.36 1.74 1.3218 -2 6 4 2 72.10 1.36 1.3100 0 4 4 2 72.67 2.77 1.3011 4 0 0 1 73.91 2.02 1.2824 4 2 0 2 74.22 1.03 1.2777 3 6 1 2 74.99 1.58 1.2665 -3 8 3 2 75.49 1.72 1.2594 -4 6 2 2 78.11 2.27 1.2235 -1 10 3 2 78.22 1.92 1.2221 0 6 4 2 78.69 2.46 1.2160 2 8 2 2 79.81 1.57 1.2017 -3 2 5 2 80.01 1.39 1.1992 1 8 3 2 80.55 2.36 1.1925 -1 2 5 2 80.80 1.83 1.1895 -3 10 1 2 83.40 1.52 1.1589 -3 4 5 2 83.57 1.44 1.1570 4 6 0 2 84.01 1.42 1.1520 0 12 2 2 84.13 1.49 1.1506 -1 4 5 2 85.18 2.96 1.1392 -4 6 4 2 85.74 2.02 1.1331 -2 12 2 2 85.80 3.17 1.1325 -3 10 3 2 86.58 1.58 1.1243 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.