Hexahydroborite Ozol Y, Vimba S, Ievins A Soviet Physics 9 (1964) 22-25 The crystal structure of calcium monoborate Ca[B(OH)4]2*2H2O Locality: synthetic _database_code_amcsd 0015534 CELL PARAMETERS: 7.9997 6.7260 7.9693 90.000 103.800 90.000 SPACE GROUP: P2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 416.418 Density (g/cm3): 1.835 MAX. ABS. INTENSITY / VOLUME**2: 5.053922095 RIR: 0.897 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.39 100.00 7.7688 1 0 0 2 13.16 60.55 6.7260 0 1 0 2 17.44 13.19 5.0850 1 1 0 4 19.33 14.13 4.5915 -1 1 1 4 22.37 30.88 3.9745 1 1 1 4 22.98 2.42 3.8696 0 0 2 2 23.10 2.75 3.8495 -1 0 2 2 26.50 42.22 3.3637 2 1 0 4 26.50 7.09 3.3630 0 2 0 2 26.58 13.55 3.3541 0 1 2 4 26.62 41.19 3.3481 -2 1 1 4 26.68 23.29 3.3410 -1 1 2 4 28.11 24.73 3.1747 1 0 2 2 28.93 8.34 3.0862 1 2 0 4 31.10 4.88 2.8754 2 1 1 4 31.15 6.71 2.8709 1 1 2 4 31.43 7.51 2.8464 -2 1 2 4 32.23 2.50 2.7776 1 2 1 4 34.64 2.13 2.5896 3 0 0 2 35.36 52.82 2.5384 0 2 2 4 35.40 12.47 2.5357 -2 2 1 4 36.40 24.04 2.4684 -3 1 1 4 36.47 2.08 2.4633 2 0 2 2 36.51 32.44 2.4609 -1 1 3 4 36.87 1.06 2.4376 -3 0 2 2 37.21 18.15 2.4167 3 1 0 4 37.33 5.14 2.4087 0 1 3 4 38.98 2.50 2.3109 2 2 1 4 39.02 24.09 2.3085 1 2 2 4 39.24 3.23 2.2957 -2 2 2 4 39.31 1.52 2.2917 -3 1 2 4 40.22 3.61 2.2420 0 3 0 2 41.55 11.85 2.1733 3 1 1 4 41.94 6.35 2.1541 1 3 0 4 41.95 2.07 2.1535 0 3 1 4 43.44 1.99 2.0832 -3 2 1 4 43.54 8.83 2.0786 -1 2 3 4 44.25 1.08 2.0469 0 2 3 4 44.39 2.62 2.0406 1 3 1 4 45.53 1.01 1.9922 -1 0 4 2 45.65 13.26 1.9873 2 2 2 4 45.98 24.05 1.9737 -3 2 2 4 46.62 1.37 1.9481 3 0 2 2 46.77 13.40 1.9422 4 0 0 2 46.83 5.51 1.9399 0 3 2 4 46.86 1.69 1.9388 -2 3 1 4 46.90 10.37 1.9374 -1 3 2 4 47.08 4.50 1.9302 -4 0 2 2 47.22 7.42 1.9248 -2 0 4 2 47.60 2.37 1.9102 -1 1 4 4 48.66 4.52 1.8712 3 1 2 4 48.72 1.98 1.8691 2 1 3 4 48.81 2.01 1.8660 4 1 0 4 48.99 8.31 1.8594 0 1 4 4 49.10 1.31 1.8553 -4 1 2 4 49.76 9.59 1.8325 2 3 1 4 49.79 1.09 1.8314 1 3 2 4 49.98 7.01 1.8249 -2 3 2 4 51.31 2.67 1.7805 1 0 4 2 51.80 16.76 1.7649 -3 0 4 2 53.22 3.40 1.7212 1 1 4 4 53.51 2.29 1.7126 -3 3 1 4 53.69 3.10 1.7071 -3 1 4 4 54.20 1.27 1.6922 0 3 3 4 54.58 3.74 1.6815 0 4 0 2 54.84 3.82 1.6741 -4 2 2 4 55.41 8.82 1.6581 2 3 2 4 55.70 1.04 1.6502 -3 3 2 4 55.95 3.25 1.6434 1 4 0 4 56.67 3.69 1.6243 -1 4 1 4 58.11 6.89 1.5873 2 0 4 2 58.52 2.07 1.5773 4 2 1 4 59.49 5.84 1.5538 5 0 0 2 59.66 2.64 1.5497 -1 1 5 4 59.75 2.84 1.5477 4 1 2 4 63.24 2.02 1.4705 3 3 2 4 64.85 1.93 1.4377 4 2 2 4 65.32 1.80 1.4285 -5 2 2 4 65.60 1.66 1.4232 -4 2 4 4 65.74 1.31 1.4204 -3 4 1 4 67.44 1.12 1.3888 2 4 2 4 67.74 1.38 1.3833 -2 4 3 4 69.36 1.61 1.3549 -5 1 4 4 70.61 1.08 1.3339 1 2 5 4 71.76 1.21 1.3154 -1 5 1 4 72.63 1.46 1.3017 -6 1 2 4 72.85 2.77 1.2983 -1 3 5 4 72.93 1.16 1.2972 4 3 2 4 73.38 3.84 1.2903 -5 3 2 4 73.63 1.17 1.2865 -4 3 4 4 73.73 1.10 1.2850 -1 4 4 4 74.67 4.89 1.2711 2 5 0 4 75.00 1.92 1.2663 -2 4 4 4 75.17 1.46 1.2639 -6 1 3 4 76.77 3.31 1.2415 5 2 2 4 77.44 3.36 1.2324 -1 2 6 4 77.59 1.47 1.2304 -2 2 6 4 78.06 1.41 1.2242 4 4 1 4 79.04 1.61 1.2115 4 1 4 4 79.45 1.04 1.2062 1 1 6 4 83.81 1.48 1.1543 2 4 4 4 84.99 1.96 1.1412 5 4 0 4 87.05 1.30 1.1195 -6 1 5 4 87.50 1.17 1.1148 -1 5 4 4 87.61 1.06 1.1137 -3 3 6 4 88.53 1.03 1.1045 0 5 4 4 89.50 1.39 1.0950 7 1 0 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.