CaB2O4(H2O)6 Wang N Neues Jahrbuch fur Mineralogie, Monatshefte 1971 (1971) 315-325 A structure proposal for the phase beta-CaB2O4*6H2O _database_code_amcsd 0014743 CELL PARAMETERS: 16.0000 6.6760 7.9640 90.000 104.033 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 825.295 Density (g/cm3): 1.986 MAX. ABS. INTENSITY / VOLUME**2: 5.809192132 RIR: 0.953 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.40 100.00 7.7613 2 0 0 2 14.44 46.10 6.1328 1 1 0 4 17.58 1.77 5.0446 -1 1 1 4 19.32 15.55 4.5940 1 1 1 4 21.73 15.40 4.0897 3 1 0 4 22.57 27.38 3.9402 -3 1 1 4 22.92 4.08 3.8806 4 0 0 2 23.02 5.81 3.8632 0 0 2 2 23.10 1.25 3.8509 -2 0 2 2 26.06 30.74 3.4198 -1 1 2 4 26.54 50.92 3.3582 3 1 1 4 26.71 5.84 3.3380 0 2 0 2 28.37 26.76 3.1456 -4 0 2 2 28.46 20.00 3.1360 1 1 2 4 28.58 11.11 3.1230 -3 1 2 4 29.12 8.53 3.0664 2 2 0 4 29.14 3.02 3.0643 0 2 1 4 31.34 2.22 2.8545 -5 1 1 4 31.79 32.18 2.8150 5 1 0 4 32.43 10.79 2.7609 2 2 1 4 35.54 1.69 2.5259 -4 2 1 4 35.59 42.97 2.5223 -2 2 2 4 36.29 24.76 2.4756 5 1 1 4 36.52 29.59 2.4602 -1 1 3 4 36.59 5.16 2.4562 4 0 2 2 36.83 1.71 2.4405 -6 0 2 2 37.53 4.40 2.3962 -3 1 3 4 39.22 2.16 2.2970 2 2 2 4 39.36 20.74 2.2893 -4 2 2 4 40.97 2.77 2.2028 1 3 0 4 41.81 8.11 2.1604 -7 1 1 4 42.27 2.30 2.1379 -1 3 1 4 42.98 6.51 2.1044 7 1 0 4 43.09 1.63 2.0994 1 3 1 4 43.56 3.56 2.0777 -6 2 1 4 43.76 1.23 2.0689 5 1 2 4 44.31 10.48 2.0443 3 3 0 4 44.43 6.19 2.0391 0 2 3 4 44.76 1.90 2.0248 -3 3 1 4 45.87 18.60 1.9783 4 2 2 4 46.07 13.54 1.9701 -6 2 2 4 46.14 2.68 1.9673 -4 2 3 4 46.76 4.70 1.9428 6 0 2 2 46.76 9.31 1.9426 -1 3 2 4 46.82 13.47 1.9403 8 0 0 2 47.05 5.39 1.9316 0 0 4 2 47.06 1.42 1.9311 3 3 1 4 48.09 5.42 1.8922 -3 1 4 4 48.26 7.06 1.8859 1 3 2 4 49.21 3.35 1.8517 -7 1 3 4 50.15 10.29 1.8190 -5 3 1 4 50.46 1.98 1.8087 5 3 0 4 51.13 8.32 1.7864 -5 1 4 4 51.45 14.44 1.7762 2 0 4 2 51.46 2.14 1.7757 -6 2 3 4 51.74 1.74 1.7667 -6 0 4 2 52.62 3.31 1.7393 3 3 2 4 53.65 2.67 1.7083 5 3 1 4 54.51 6.97 1.6835 -9 1 2 4 54.58 1.01 1.6815 -3 3 3 4 54.66 3.85 1.6791 6 2 2 4 54.92 2.05 1.6718 0 2 4 4 55.02 3.72 1.6690 0 4 0 2 56.39 1.93 1.6317 2 4 0 4 56.40 1.96 1.6314 0 4 1 4 56.45 2.79 1.6301 3 1 4 4 56.80 1.13 1.6209 -7 1 4 4 58.15 1.34 1.5865 8 0 2 2 58.70 3.84 1.5728 -8 0 4 2 59.09 1.34 1.5635 -8 2 3 4 59.56 4.68 1.5523 10 0 0 2 59.61 4.75 1.5510 -7 3 2 4 59.79 1.58 1.5469 -3 1 5 4 60.42 1.77 1.5322 -4 4 1 4 60.45 1.32 1.5314 -2 4 2 4 60.45 1.15 1.5313 3 3 3 4 62.89 1.51 1.4777 -1 3 4 4 63.16 1.01 1.4721 7 1 3 4 64.20 1.24 1.4508 5 1 4 4 65.10 1.40 1.4329 8 2 2 4 66.26 1.01 1.4105 -11 1 2 4 68.05 1.05 1.3777 -6 4 2 4 68.20 1.15 1.3750 7 3 2 4 73.15 2.48 1.2938 -3 3 5 4 73.71 1.21 1.2852 -1 1 6 4 74.12 1.10 1.2793 -10 2 4 4 74.13 1.02 1.2790 -2 4 4 4 75.24 1.50 1.2629 0 4 4 4 76.17 1.78 1.2498 1 5 2 4 77.18 1.18 1.2360 5 3 4 4 77.37 2.20 1.2334 -12 2 2 4 77.49 1.07 1.2318 -7 1 6 4 77.71 2.09 1.2289 -4 2 6 4 77.88 2.22 1.2266 5 5 0 4 78.80 1.42 1.2146 9 3 2 4 84.68 1.50 1.1446 -8 4 4 4 85.41 1.96 1.1366 10 4 0 4 85.93 1.21 1.1311 -13 1 4 4 86.24 1.03 1.1279 7 1 5 4 89.43 1.51 1.0957 -2 6 1 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.