Ca3SiO5 Golovastikov N, Matveeva R, Belov N Kristallografiya 20 (1975) 721-729 Crystal structure of tricalcium silicate, 3CaO.SiO2 = C3S _database_code_amcsd 0017826 CELL PARAMETERS: 11.6700 14.2400 13.7200 105.500 94.330 90.000 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 2190.324 Density (g/cm3): 3.115 MAX. ABS. INTENSITY / VOLUME**2: 7.908736484 RIR: 0.827 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 7.96 2.25 11.1076 0 -1 1 2 14.82 3.31 5.9791 -1 -2 1 2 14.85 3.97 5.9640 -1 2 0 2 14.92 4.50 5.9371 -1 0 2 2 22.71 4.51 3.9163 1 -2 3 2 22.86 4.01 3.8898 1 2 2 2 22.93 1.46 3.8780 3 0 0 2 23.82 1.30 3.7354 1 3 1 2 23.93 1.33 3.7185 -3 -1 1 2 24.04 1.27 3.7025 0 -3 3 2 25.01 2.33 3.5599 0 -4 1 2 25.15 1.05 3.5411 -2 -2 3 2 25.28 1.80 3.5235 -2 2 2 2 25.75 1.52 3.4594 -3 -1 2 2 27.32 1.30 3.2644 -3 1 2 2 28.84 1.14 3.0957 0 -3 4 2 29.16 34.07 3.0625 -1 -4 3 2 29.34 32.64 3.0438 -1 4 1 2 29.50 34.89 3.0275 -3 0 3 2 29.69 1.12 3.0086 -3 -3 1 2 29.89 8.41 2.9895 -2 -4 2 2 29.97 9.52 2.9820 -2 4 0 2 30.10 10.38 2.9685 -2 0 4 2 31.39 1.18 2.8498 3 -1 3 2 31.91 1.53 2.8049 -4 1 1 2 31.96 100.00 2.8006 3 0 3 2 32.24 43.36 2.7769 0 -4 4 2 32.50 45.66 2.7550 0 4 2 2 32.66 44.28 2.7414 -4 0 2 2 33.15 1.13 2.7023 -1 -1 5 2 33.84 1.36 2.6491 3 1 3 2 34.18 40.86 2.6233 3 -4 1 2 34.20 40.76 2.6217 -3 -4 1 2 34.24 1.31 2.6188 -1 -5 3 2 34.29 31.64 2.6154 -1 0 5 2 34.66 1.49 2.5880 1 -5 3 2 34.78 1.07 2.5792 -1 -3 5 2 35.74 1.07 2.5121 -1 5 1 2 36.33 3.24 2.4729 3 -1 4 2 36.50 1.78 2.4617 2 5 0 2 36.62 2.11 2.4540 -1 1 5 2 36.64 2.49 2.4526 -4 -3 2 2 36.97 1.37 2.4312 4 3 0 2 37.77 1.73 2.3817 4 -3 2 2 38.30 7.28 2.3500 1 -4 5 2 38.43 3.00 2.3422 4 0 3 2 38.59 1.82 2.3333 2 0 5 2 38.61 6.21 2.3319 1 4 3 2 38.77 8.93 2.3228 -5 0 1 2 39.05 2.12 2.3068 4 3 1 2 39.33 2.07 2.2910 -3 -5 2 2 39.41 1.06 2.2862 5 1 0 2 39.77 1.00 2.2663 -1 -2 6 2 39.94 1.46 2.2574 1 5 2 2 40.04 2.15 2.2517 -4 -4 1 2 40.61 1.05 2.2215 0 -5 5 2 40.89 3.15 2.2071 3 -4 4 2 40.95 1.88 2.2038 1 -2 6 2 41.01 13.02 2.2006 4 -4 2 2 41.09 19.29 2.1967 0 0 6 2 41.11 11.48 2.1957 4 4 0 2 41.12 3.04 2.1951 3 4 2 2 41.15 2.26 2.1936 1 2 5 2 41.20 2.95 2.1913 5 -2 1 2 41.22 2.61 2.1901 -1 0 6 2 41.23 2.26 2.1896 5 2 0 2 41.29 3.96 2.1863 2 -6 2 2 41.37 3.96 2.1826 -2 -6 1 2 41.50 3.38 2.1757 -2 -2 6 2 41.52 1.84 2.1749 -4 -4 3 2 41.64 2.48 2.1691 -4 4 1 2 41.69 2.66 2.1663 -2 2 5 2 42.29 2.17 2.1373 -5 -1 3 2 42.74 1.16 2.1157 -1 -4 6 2 43.08 1.08 2.0999 -1 4 4 2 43.09 1.11 2.0993 3 5 1 2 43.61 2.73 2.0757 -1 5 3 2 45.07 1.42 2.0117 -2 1 6 2 45.09 1.42 2.0108 4 -5 2 2 45.36 4.41 1.9996 -1 -6 5 2 45.45 1.17 1.9955 -5 -1 4 2 45.63 1.56 1.9880 -3 6 0 2 45.69 4.55 1.9856 -1 6 2 2 45.85 2.55 1.9790 -3 0 6 2 45.95 1.86 1.9750 -5 0 4 2 46.37 9.88 1.9581 2 -4 6 2 46.70 7.92 1.9449 2 4 4 2 46.85 8.97 1.9390 6 0 0 2 47.45 1.92 1.9162 -3 -4 6 2 47.62 1.32 1.9097 -4 3 4 2 47.75 1.01 1.9048 -3 4 4 2 49.22 3.25 1.8513 0 -6 6 2 49.60 2.75 1.8380 5 -4 3 2 49.64 2.23 1.8367 0 6 3 2 49.65 1.99 1.8362 1 0 7 2 49.75 1.63 1.8328 5 4 1 2 49.82 1.76 1.8302 -4 -3 6 2 49.90 2.18 1.8276 -6 0 3 2 51.33 34.53 1.7799 0 -8 2 2 51.62 26.32 1.7706 -4 -4 6 2 51.90 28.80 1.7618 -4 4 4 2 55.58 2.23 1.6535 5 -6 2 2 55.66 1.98 1.6513 -5 -6 1 2 55.73 2.27 1.6493 -1 0 8 2 55.84 16.41 1.6465 3 -4 7 2 56.19 15.84 1.6370 3 4 5 2 56.33 12.86 1.6332 7 0 1 2 57.16 1.06 1.6116 7 1 1 2 59.46 9.10 1.5544 6 -4 4 2 59.50 7.59 1.5536 2 0 8 2 59.66 8.37 1.5499 6 4 2 2 60.17 2.07 1.5378 -3 -8 5 2 60.47 1.98 1.5310 -3 8 1 2 60.81 1.21 1.5232 -5 0 7 2 61.58 9.85 1.5060 3 -8 5 2 61.80 8.45 1.5011 -1 -4 9 2 61.93 8.30 1.4984 3 8 1 2 62.09 5.56 1.4948 -4 -8 4 2 62.22 9.38 1.4921 -7 -4 3 2 62.22 7.99 1.4920 -1 4 7 2 62.27 5.25 1.4910 -4 8 0 2 62.29 9.68 1.4905 -7 4 1 2 62.58 5.69 1.4843 -4 0 8 2 62.93 4.86 1.4769 -1 -8 7 2 63.06 1.16 1.4742 2 -6 8 2 63.45 5.33 1.4661 -1 8 3 2 63.59 1.20 1.4633 2 6 5 2 63.82 5.25 1.4584 -7 0 5 2 66.17 1.00 1.4123 5 -8 1 2 66.81 7.01 1.4003 6 0 6 2 67.45 2.08 1.3884 0 -8 8 2 68.06 2.02 1.3775 0 8 4 2 71.99 1.43 1.3117 6 -8 2 2 72.05 1.20 1.3108 -6 -8 2 2 78.80 1.30 1.2146 9 0 3 2 79.60 3.33 1.2043 7 -8 3 2 79.76 2.59 1.2024 -7 -8 1 2 79.82 2.38 1.2015 -1 0 11 2 82.01 2.94 1.1750 2 -8 10 2 82.78 2.82 1.1660 2 8 6 2 83.18 2.77 1.1614 -10 0 2 2 84.38 2.80 1.1479 0 -12 6 2 84.75 2.45 1.1439 -4 -8 10 2 84.80 3.07 1.1433 0 12 0 2 85.44 1.58 1.1364 -8 -4 8 2 85.47 2.14 1.1361 -4 8 6 2 85.58 2.55 1.1349 3 -12 3 2 85.61 2.68 1.1345 -3 -12 3 2 85.74 1.89 1.1332 -8 4 6 2 86.01 1.99 1.1303 -7 -8 7 2 86.15 1.56 1.1288 -5 -4 11 2 86.42 2.67 1.1259 -7 8 3 2 86.60 1.43 1.1241 -5 4 9 2 88.63 3.18 1.1036 6 -8 8 2 88.79 2.30 1.1019 2 -4 12 2 89.24 2.23 1.0976 6 8 4 2 89.32 2.17 1.0968 2 4 10 2 89.44 2.89 1.0956 10 -4 2 2 89.53 2.57 1.0948 10 4 0 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.