Poldervaartite Marsh R E Acta Crystallographica C50 (1994) 996-997 A revised structure for alpha-dicalcium silicate hydrate Locality: synthetic Ca2SiO3OHOH _database_code_amcsd 0010292 CELL PARAMETERS: 9.4870 9.1790 10.6660 90.000 90.000 90.000 SPACE GROUP: Pbca X-RAY WAVELENGTH: 1.541838 Cell Volume: 928.808 Density (g/cm3): 2.721 MAX. ABS. INTENSITY / VOLUME**2: 10.35641091 RIR: 1.239 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 16.62 8.96 5.3330 0 0 2 2 19.09 2.45 4.6488 1 0 2 4 19.34 1.20 4.5895 0 2 0 2 21.07 17.39 4.2158 0 2 1 4 21.08 21.44 4.2141 2 1 0 4 21.43 2.70 4.1473 1 1 2 8 22.69 16.46 3.9193 2 1 1 8 23.09 3.55 3.8525 1 2 1 8 25.13 20.28 3.5443 2 0 2 4 25.61 1.98 3.4787 0 2 2 4 26.97 11.46 3.3064 2 1 2 8 27.03 8.63 3.2984 2 2 0 4 27.31 100.00 3.2660 1 2 2 8 28.52 2.07 3.1297 1 1 3 8 31.06 25.91 2.8789 3 1 1 8 31.84 7.16 2.8106 0 2 3 4 31.86 15.73 2.8092 1 3 1 8 31.90 2.61 2.8052 2 2 2 8 32.93 8.76 2.7201 3 0 2 4 32.96 1.33 2.7174 2 1 3 8 33.25 12.02 2.6949 1 2 3 8 33.61 18.58 2.6665 0 0 4 2 34.39 25.52 2.6080 3 1 2 8 34.89 15.73 2.5712 2 3 0 4 34.95 2.13 2.5670 1 0 4 4 35.11 1.65 2.5558 1 3 2 8 35.49 20.16 2.5297 3 2 1 8 35.93 4.12 2.4996 2 3 1 8 36.34 5.14 2.4722 1 1 4 8 37.18 43.03 2.4180 2 2 3 8 38.47 4.13 2.3400 3 2 2 8 38.74 1.99 2.3244 2 0 4 4 38.88 5.42 2.3161 2 3 2 8 39.07 7.24 2.3056 0 2 4 4 39.38 1.40 2.2883 3 1 3 8 40.17 6.26 2.2449 4 1 1 8 40.20 1.11 2.2434 0 4 1 4 40.25 2.41 2.2404 1 2 4 8 41.68 6.04 2.1671 4 0 2 4 42.91 2.12 2.1079 0 4 2 4 42.92 6.41 2.1070 4 2 0 4 43.43 8.85 2.0835 2 3 3 8 43.80 2.20 2.0671 4 2 1 8 43.83 2.41 2.0657 2 4 0 4 44.01 13.58 2.0577 1 4 2 8 44.44 1.40 2.0385 3 0 4 4 44.57 2.60 2.0329 3 3 2 8 44.68 1.81 2.0280 2 4 1 8 45.58 1.97 1.9900 3 1 4 8 46.16 2.35 1.9666 1 3 4 8 46.33 8.82 1.9596 4 2 2 8 47.11 4.03 1.9290 4 1 3 8 47.14 8.13 1.9280 0 4 3 4 47.18 1.95 1.9263 2 4 2 8 48.00 2.38 1.8954 1 2 5 8 48.16 1.19 1.8894 1 4 3 8 48.57 2.32 1.8745 4 3 0 4 48.89 1.48 1.8630 3 2 4 8 49.23 1.35 1.8509 2 3 4 8 49.36 6.09 1.8462 4 3 1 8 49.84 1.12 1.8297 3 4 1 8 50.34 1.00 1.8126 4 2 3 8 50.98 12.72 1.7912 2 2 5 8 51.09 6.90 1.7876 5 0 2 4 51.14 9.53 1.7861 2 4 3 8 51.40 3.28 1.7777 0 0 6 2 51.57 1.61 1.7722 4 0 4 4 52.36 3.14 1.7473 1 0 6 4 52.60 2.12 1.7400 4 1 4 8 52.62 3.19 1.7393 0 4 4 4 52.71 7.04 1.7365 3 1 5 8 53.23 5.27 1.7209 1 3 5 8 53.38 3.05 1.7164 1 1 6 8 53.57 2.45 1.7108 1 4 4 8 53.68 3.95 1.7075 1 5 2 8 54.06 1.66 1.6965 3 3 4 8 55.14 6.83 1.6657 5 2 2 8 55.18 3.35 1.6646 2 0 6 4 55.41 2.62 1.6582 4 3 3 8 55.59 4.91 1.6532 4 2 4 8 55.70 2.44 1.6502 3 2 5 8 55.74 9.24 1.6492 4 4 0 4 56.01 2.85 1.6417 2 3 5 8 56.34 1.25 1.6330 2 4 4 8 56.34 5.72 1.6329 1 2 6 8 57.31 4.43 1.6076 1 5 3 8 57.83 4.60 1.5944 5 3 1 8 58.36 2.16 1.5812 6 0 0 2 58.80 11.84 1.5704 3 5 1 8 59.03 2.52 1.5649 2 2 6 8 59.82 6.51 1.5460 5 0 4 4 59.93 2.36 1.5435 5 3 2 8 59.97 1.75 1.5425 2 5 3 8 60.52 3.28 1.5298 0 6 0 2 60.75 4.73 1.5245 5 1 4 8 61.90 1.34 1.4991 4 2 5 8 62.16 1.17 1.4932 1 5 4 8 62.60 4.00 1.4840 2 4 5 8 62.76 2.64 1.4805 6 2 1 8 63.24 2.59 1.4705 0 6 2 4 64.08 1.34 1.4532 1 6 2 8 64.25 4.42 1.4497 3 5 3 8 64.43 1.01 1.4461 0 2 7 4 64.81 1.21 1.4385 4 5 1 8 65.10 1.13 1.4329 2 1 7 8 66.68 2.09 1.4026 4 4 4 8 68.03 1.80 1.3781 6 2 3 8 68.82 1.07 1.3642 3 5 4 8 69.06 1.92 1.3600 6 0 4 4 69.14 3.41 1.3587 4 2 6 8 71.45 1.56 1.3203 1 0 8 4 71.78 1.43 1.3151 3 2 7 8 71.88 1.01 1.3135 7 0 2 4 72.30 1.05 1.3068 1 1 8 8 72.44 1.67 1.3047 4 4 5 8 72.61 1.15 1.3020 6 4 0 4 73.24 1.28 1.2924 6 4 1 8 73.38 1.55 1.2903 7 2 1 8 74.05 2.02 1.2803 0 2 8 4 75.25 1.79 1.2628 7 2 2 8 75.79 1.12 1.2551 2 7 1 8 75.83 1.16 1.2545 7 1 3 8 76.27 2.39 1.2484 5 2 6 8 77.56 2.93 1.2309 7 3 1 8 80.12 2.09 1.1979 7 1 4 8 80.69 1.68 1.1909 2 7 3 8 81.48 1.81 1.1812 3 7 2 8 82.43 1.61 1.1700 6 4 4 8 83.10 3.30 1.1623 5 6 2 8 83.11 2.20 1.1622 4 0 8 4 83.30 1.81 1.1600 7 4 1 8 83.34 2.11 1.1596 0 6 6 4 83.94 1.95 1.1528 0 4 8 4 84.70 1.66 1.1444 1 4 8 8 85.01 1.28 1.1410 4 7 1 8 85.27 2.32 1.1382 2 5 7 8 86.10 1.40 1.1293 5 4 6 8 87.33 2.16 1.1166 8 1 3 8 88.06 1.03 1.1092 2 8 1 8 88.23 1.86 1.1075 5 3 7 8 89.01 1.06 1.0998 8 3 1 8 89.64 1.17 1.0937 6 6 1 8 89.93 1.30 1.0909 5 0 8 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.