Hexahydroborite Simonov M A, Yamnova N A, Kazanskaya E V, Egorov-Tismenko Y K, Belov N V Doklady Akademii Nauk SSSR 228 (1976) 1337-1340 Crystal structure of Ca(B(OH)4)2(H2O)2 Note: Data is transformed from 1st setting to 2nd setting _database_code_amcsd 0012453 CELL PARAMETERS: 8.0060 6.6490 8.0120 90.000 104.210 90.000 SPACE GROUP: P2/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 413.444 Density (g/cm3): 1.878 MAX. ABS. INTENSITY / VOLUME**2: 5.987824558 RIR: 1.038 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.39 100.00 7.7669 0 0 1 2 13.32 38.66 6.6490 0 1 0 2 17.56 14.31 5.0510 0 1 1 4 19.38 14.20 4.5809 -1 1 1 4 22.48 20.34 3.9546 1 1 1 4 22.90 2.16 3.8834 0 0 2 2 22.92 1.45 3.8805 2 0 0 2 22.97 2.03 3.8721 -2 0 1 2 26.58 27.48 3.3534 0 1 2 4 26.60 16.30 3.3515 2 1 0 4 26.63 26.85 3.3475 -1 1 2 4 26.64 24.09 3.3461 -2 1 1 4 26.82 6.50 3.3245 0 2 0 2 28.12 16.11 3.1738 2 0 1 2 29.22 4.40 3.0563 0 2 1 4 31.22 3.02 2.8651 1 1 2 4 31.23 2.55 2.8642 2 1 1 4 31.34 6.66 2.8541 -2 1 2 4 32.51 1.69 2.7545 1 2 1 4 34.65 2.76 2.5890 0 0 3 2 35.56 46.93 2.5247 2 2 0 4 35.58 6.41 2.5230 -1 2 2 4 36.38 19.15 2.4695 -1 1 3 4 36.40 25.12 2.4680 -3 1 1 4 36.70 2.45 2.4490 -2 0 3 2 37.27 15.16 2.4125 0 1 3 4 37.30 1.76 2.4109 3 1 0 4 39.20 1.77 2.2981 -2 1 3 4 39.21 1.75 2.2973 -3 1 2 4 39.24 2.61 2.2961 1 2 2 4 39.24 22.90 2.2956 2 2 1 4 39.34 2.70 2.2904 -2 2 2 4 40.71 2.07 2.2163 0 3 0 2 41.67 8.55 2.1675 1 1 3 4 42.41 2.65 2.1313 0 3 1 4 43.26 1.11 2.0915 -1 3 1 4 43.60 5.11 2.0760 -3 2 1 4 44.85 2.89 2.0207 1 3 1 4 45.89 8.49 1.9773 2 2 2 4 46.03 16.66 1.9718 -2 2 3 4 46.79 10.70 1.9417 0 0 4 2 46.90 2.93 1.9372 -2 0 4 2 46.93 6.48 1.9361 -4 0 2 2 47.22 3.46 1.9249 0 3 2 4 47.23 2.20 1.9246 2 3 0 4 47.25 2.15 1.9238 -1 3 2 4 47.25 6.20 1.9235 -2 3 1 4 47.44 1.12 1.9165 -4 1 1 4 48.79 3.87 1.8663 2 1 3 4 48.81 3.30 1.8659 3 1 2 4 48.86 1.86 1.8639 0 1 4 4 48.90 6.62 1.8626 4 1 0 4 50.20 9.42 1.8173 1 3 2 4 50.28 5.02 1.8145 -2 3 2 4 51.26 2.25 1.7823 4 0 1 2 51.46 10.99 1.7759 -4 0 3 2 53.21 3.18 1.7216 4 1 1 4 53.40 2.35 1.7157 -4 1 3 4 53.84 2.90 1.7027 -1 3 3 4 54.69 1.86 1.6782 3 2 2 4 54.85 3.92 1.6737 -2 2 4 4 55.26 3.79 1.6623 0 4 0 2 55.84 4.08 1.6465 2 3 2 4 56.63 2.01 1.6254 0 4 1 4 57.31 1.33 1.6076 -1 4 1 4 58.13 4.53 1.5869 4 0 2 2 59.44 2.26 1.5551 -5 1 1 4 59.51 4.58 1.5534 0 0 5 2 59.90 2.69 1.5441 2 1 4 4 60.20 1.37 1.5372 -4 1 4 4 62.53 1.38 1.4854 -4 3 1 4 63.66 1.94 1.4617 2 3 3 4 65.11 1.17 1.4326 2 2 4 4 65.31 1.16 1.4288 -2 2 5 4 65.40 1.01 1.4271 -4 2 4 4 66.31 1.15 1.4096 -1 4 3 4 72.48 1.02 1.3040 -2 1 6 4 72.94 3.14 1.2970 -5 3 1 4 73.54 1.83 1.2878 -2 3 5 4 74.90 1.11 1.2677 -3 1 6 4 74.95 1.02 1.2671 -6 1 3 4 75.36 1.30 1.2612 -4 4 2 4 75.58 2.10 1.2581 0 5 2 4 77.05 3.03 1.2377 2 2 5 4 77.27 1.56 1.2348 -6 2 1 4 77.33 1.25 1.2340 -6 2 2 4 79.21 1.06 1.2093 4 1 4 4 79.34 1.19 1.2076 6 1 1 4 84.39 1.38 1.1478 4 4 2 4 85.57 1.82 1.1349 0 4 5 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.