Ardealite Sakae T, Nagata H, Sudo T American Mineralogist 63 (1978) 520-527 The crystal structure of synthetic calcium phosphate - sulfate hydrate, Ca2HPO4SO4.4H2O, and its relation to brushite and gypsum _database_code_amcsd 0000666 CELL PARAMETERS: 5.7210 30.9920 6.2500 90.000 117.260 90.000 SPACE GROUP: Cc X-RAY WAVELENGTH: 1.541838 Cell Volume: 985.083 Density (g/cm3): 2.372 MAX. ABS. INTENSITY / VOLUME**2: 9.587943617 RIR: 1.316 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.42 100.00 7.7480 0 4 0 2 17.67 2.13 5.0201 -1 1 1 2 17.67 2.19 5.0185 1 1 0 2 19.45 19.41 4.5639 -1 3 1 2 19.45 19.88 4.5627 1 3 0 2 22.61 26.11 3.9324 -1 5 1 2 22.62 26.11 3.9316 1 5 0 2 22.96 14.13 3.8740 0 8 0 2 23.52 1.24 3.7830 0 6 1 2 26.69 29.52 3.3397 -1 7 1 2 26.70 29.92 3.3393 1 7 0 2 28.85 6.67 3.0942 -1 1 2 2 28.86 6.52 3.0931 1 1 1 2 30.01 13.28 2.9777 -1 3 2 2 30.02 11.96 2.9768 1 3 1 2 31.37 26.65 2.8517 -1 9 1 2 31.37 26.34 2.8514 1 9 0 2 31.81 18.80 2.8130 -2 2 1 2 32.20 9.49 2.7795 -1 5 2 2 32.21 9.92 2.7787 1 5 1 2 32.75 14.82 2.7343 0 2 2 2 33.10 1.07 2.7066 0 10 1 2 34.29 9.97 2.6149 0 4 2 2 35.27 3.14 2.5447 -1 7 2 2 35.28 3.09 2.5441 1 7 1 2 35.29 4.25 2.5436 -2 0 2 1 35.30 5.20 2.5428 2 0 0 1 35.77 3.95 2.5100 -2 2 2 2 35.78 4.25 2.5092 2 2 0 2 35.89 2.33 2.5024 -2 6 1 2 36.73 31.14 2.4466 0 6 2 2 37.20 1.71 2.4167 -2 4 2 2 37.22 1.33 2.4160 2 4 0 2 39.03 3.93 2.3079 -1 9 2 2 39.04 3.61 2.3075 1 9 1 2 39.49 2.62 2.2819 -2 6 2 2 39.50 3.12 2.2814 2 6 0 2 41.85 1.90 2.1587 -1 13 1 2 41.85 1.23 2.1586 1 13 0 2 42.52 3.97 2.1263 -2 8 2 2 42.53 4.54 2.1258 2 8 0 2 43.03 13.32 2.1020 -2 10 1 2 43.34 2.92 2.0879 -1 11 2 2 43.34 2.71 2.0876 1 11 1 2 43.76 7.81 2.0686 0 10 2 2 44.61 5.50 2.0314 -1 3 3 2 44.62 4.95 2.0308 1 3 2 2 45.90 2.46 1.9769 -2 2 3 2 45.92 1.96 1.9762 2 2 1 2 46.17 4.81 1.9662 -2 10 2 2 46.18 4.65 1.9658 2 10 0 2 46.20 1.03 1.9650 -1 5 3 2 46.91 3.58 1.9370 0 16 0 2 47.08 5.68 1.9304 -2 4 3 2 47.09 6.07 1.9297 2 4 1 2 48.10 4.71 1.8915 0 12 2 2 48.51 2.50 1.8765 -1 7 3 2 48.52 1.96 1.8762 -3 1 2 2 48.52 3.08 1.8761 1 7 2 2 48.53 2.03 1.8760 -3 1 1 2 49.86 1.66 1.8290 0 16 1 2 50.35 9.90 1.8123 -2 12 2 2 50.36 9.64 1.8120 2 12 0 2 50.76 2.15 1.7988 -3 5 2 2 50.76 2.40 1.7985 -3 5 1 2 51.48 3.29 1.7753 -1 9 3 2 51.49 3.58 1.7749 1 9 2 2 52.88 7.05 1.7312 0 14 2 2 52.92 3.03 1.7302 -3 7 2 2 52.93 3.11 1.7300 -3 7 1 2 53.39 1.97 1.7162 -1 17 1 2 53.39 1.87 1.7161 1 17 0 2 54.99 1.12 1.6699 -2 14 2 2 55.00 1.11 1.6696 2 14 0 2 55.02 1.18 1.6691 -1 11 3 2 55.03 1.00 1.6688 1 11 2 2 55.71 1.63 1.6499 -3 9 2 2 55.72 2.03 1.6497 -3 9 1 2 58.70 1.97 1.5727 -1 17 2 2 58.71 1.84 1.5726 1 17 1 2 59.78 2.93 1.5471 -2 2 4 2 59.80 2.64 1.5465 2 2 2 2 60.03 1.90 1.5410 -2 16 2 2 60.04 1.91 1.5409 2 16 0 2 62.54 1.25 1.4852 -1 5 4 2 62.55 1.08 1.4849 1 5 3 2 64.51 1.75 1.4445 -1 19 2 2 64.52 2.03 1.4444 1 19 1 2 65.09 1.49 1.4329 3 3 1 2 65.23 4.62 1.4302 -4 0 2 1 67.38 1.08 1.3898 -2 10 4 2 67.40 1.08 1.3894 2 10 2 2 67.43 1.35 1.3890 0 0 4 1 67.73 2.22 1.3834 0 2 4 2 68.57 1.00 1.3685 1 17 2 2 70.65 1.17 1.3333 -1 21 2 2 70.65 1.24 1.3332 1 21 1 2 74.59 2.68 1.2724 -2 14 4 2 74.61 2.73 1.2721 2 14 2 2 74.92 1.13 1.2675 -4 2 4 2 74.95 1.10 1.2671 4 2 0 2 76.76 1.12 1.2416 -3 17 3 2 76.78 1.18 1.2414 3 17 0 2 77.68 1.10 1.2293 1 15 3 2 81.87 1.33 1.1766 -4 10 4 2 81.90 1.36 1.1763 4 10 0 2 81.96 1.31 1.1756 -3 19 3 2 81.97 1.12 1.1754 3 19 0 2 89.46 1.42 1.0954 0 26 2 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.