Uralborite Simonov M A, Egorov-Tismenko Y K, Belov N V Doklady Akademii Nauk SSSR 234 (1977) 822-825 Accurate crystal structure of uralborite, Ca2[B4O4(OH)8] _database_code_amcsd 0012456 CELL PARAMETERS: 6.9270 9.8360 12.3310 90.000 90.000 97.810 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 832.367 Density (g/cm3): 2.581 MAX. ABS. INTENSITY / VOLUME**2: 4.259614715 RIR: 0.537 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.57 100.00 7.6456 0 1 1 4 14.37 38.53 6.1655 0 0 2 2 14.77 5.73 5.9966 1 0 1 4 16.41 3.71 5.4014 1 -1 1 4 17.02 2.01 5.2102 0 1 2 4 18.21 28.23 4.8724 0 2 0 2 19.35 1.38 4.5864 1 0 2 4 20.64 2.56 4.3031 1 -1 2 4 22.10 1.89 4.0225 -1 2 1 4 24.88 1.99 3.5792 1 2 1 4 25.26 13.99 3.5262 1 0 3 4 25.97 45.24 3.4314 2 0 0 2 26.97 18.84 3.3058 2 0 1 4 27.33 13.96 3.2632 2 -1 1 4 27.49 7.82 3.2441 1 1 3 4 27.90 2.15 3.1978 1 2 2 4 28.41 11.39 3.1417 0 2 3 4 28.41 3.65 3.1411 0 3 1 4 28.77 23.14 3.1036 -1 3 0 2 29.65 8.04 3.0128 2 1 1 4 29.68 37.83 3.0097 -1 3 1 4 29.74 14.43 3.0042 -2 2 0 2 30.23 8.04 2.9563 -1 2 3 4 30.41 9.31 2.9392 0 1 4 4 30.63 6.96 2.9189 2 -2 1 4 31.12 10.62 2.8738 0 3 2 4 31.82 8.49 2.8121 1 0 4 4 32.05 6.50 2.7929 1 3 0 2 32.26 4.49 2.7746 2 1 2 4 32.29 4.34 2.7722 -1 3 2 4 32.36 1.09 2.7664 1 2 3 4 32.65 43.65 2.7428 1 -1 4 4 33.66 29.43 2.6626 1 1 4 4 34.04 2.43 2.6341 2 0 3 4 34.43 18.04 2.6051 0 2 4 4 34.73 17.72 2.5830 2 2 1 4 35.22 2.18 2.5485 0 3 3 4 36.14 6.42 2.4853 -2 3 1 4 36.27 6.50 2.4768 -1 3 3 4 37.02 16.22 2.4281 2 2 2 4 37.07 9.26 2.4254 2 -2 3 4 37.62 1.80 2.3908 0 1 5 4 37.64 5.95 2.3900 0 4 1 4 37.82 4.87 2.3789 1 2 4 4 38.19 3.50 2.3567 -1 4 1 4 38.36 6.27 2.3464 -2 3 2 4 38.80 6.29 2.3209 1 0 5 4 38.99 29.12 2.3101 1 3 3 4 39.29 1.12 2.2932 2 0 4 4 39.78 29.88 2.2657 0 4 2 4 40.09 4.38 2.2492 3 0 1 4 40.31 1.97 2.2373 -1 4 2 4 40.36 4.96 2.2347 1 1 5 4 40.60 1.46 2.2222 2 2 3 4 41.02 1.79 2.2004 0 2 5 4 41.25 11.14 2.1884 2 1 4 4 41.28 4.03 2.1872 -1 3 4 4 41.44 4.08 2.1787 2 3 1 4 41.64 1.79 2.1690 1 4 1 4 41.77 3.76 2.1626 3 1 0 2 41.93 2.22 2.1546 3 -2 1 4 41.96 27.43 2.1530 3 -1 2 4 41.99 2.01 2.1515 2 -2 4 4 42.13 12.27 2.1447 3 0 2 4 42.36 3.59 2.1337 -1 2 5 4 42.44 7.14 2.1301 3 1 1 4 42.49 3.66 2.1276 -2 4 0 2 43.15 7.82 2.0966 -2 4 1 4 43.17 3.21 2.0957 0 4 3 4 43.44 5.04 2.0833 2 3 2 4 43.62 5.86 2.0749 1 4 2 4 43.90 3.79 2.0622 3 -2 2 4 43.98 3.71 2.0589 1 2 5 4 44.06 28.58 2.0552 0 0 6 2 44.39 3.31 2.0407 3 1 2 4 45.08 4.82 2.0109 0 1 6 4 45.20 8.25 2.0059 2 2 4 4 45.21 11.15 2.0055 3 -1 3 4 45.28 1.21 2.0028 -3 3 0 2 45.28 7.23 2.0026 2 0 5 4 45.51 1.49 1.9930 2 -1 5 4 45.90 17.13 1.9769 3 -3 1 4 46.22 7.32 1.9642 0 3 5 4 46.69 6.65 1.9456 3 2 1 4 46.69 21.67 1.9456 -1 5 0 2 47.04 4.03 1.9317 2 1 5 4 47.06 1.05 1.9308 -1 3 5 4 47.51 8.12 1.9139 3 1 3 4 47.57 29.04 1.9114 0 4 4 4 47.71 2.01 1.9062 2 -2 5 4 48.03 4.44 1.8942 -1 4 4 4 48.05 5.35 1.8936 0 2 6 4 48.16 5.83 1.8895 -2 4 3 4 48.51 2.25 1.8768 3 2 2 4 49.28 1.34 1.8490 2 4 1 4 49.48 21.17 1.8422 3 -1 4 4 49.63 1.85 1.8370 3 0 4 4 50.38 6.85 1.8113 1 5 0 2 50.64 1.22 1.8027 2 2 5 4 50.94 1.51 1.7926 1 4 4 4 51.03 12.20 1.7896 2 4 2 4 51.48 1.50 1.7750 -3 4 1 4 51.63 3.36 1.7704 3 1 4 4 51.86 6.34 1.7631 2 0 6 4 51.92 5.38 1.7611 3 3 0 2 51.92 1.04 1.7610 0 5 3 4 52.06 1.58 1.7566 2 -1 6 4 52.24 3.28 1.7511 -2 4 4 4 52.49 2.24 1.7434 3 3 1 4 52.67 1.37 1.7378 1 5 2 4 52.81 2.94 1.7335 0 1 7 4 53.18 2.97 1.7223 -3 4 2 4 53.25 3.70 1.7203 -1 4 5 4 53.46 1.45 1.7141 2 1 6 4 53.47 3.21 1.7135 -1 3 6 4 53.96 1.32 1.6993 4 0 1 4 54.16 3.13 1.6933 3 3 2 4 54.59 5.71 1.6811 3 -1 5 4 54.76 1.04 1.6762 4 -2 1 4 54.94 1.19 1.6711 1 1 7 4 55.34 1.09 1.6602 3 2 4 4 55.44 1.61 1.6575 1 5 3 4 55.51 4.31 1.6553 1 3 6 4 55.81 2.49 1.6473 2 3 5 4 55.93 1.88 1.6440 -3 4 3 4 55.96 1.61 1.6431 1 4 5 4 56.20 7.01 1.6368 3 -2 5 4 56.60 1.76 1.6260 3 1 5 4 56.68 1.27 1.6241 0 6 0 2 57.18 4.99 1.6110 -2 4 5 4 57.21 2.19 1.6102 0 6 1 4 57.65 4.38 1.5989 2 4 4 4 57.74 7.88 1.5966 4 -3 1 4 58.36 1.46 1.5812 -3 5 1 4 58.94 1.35 1.5671 2 0 7 4 59.18 2.38 1.5613 -1 4 6 4 59.45 5.50 1.5547 3 -3 5 4 59.57 3.51 1.5520 2 5 2 4 59.64 1.10 1.5504 -3 4 4 4 60.43 1.70 1.5320 -1 3 7 4 61.10 1.16 1.5168 3 4 2 4 61.68 1.60 1.5039 1 0 8 4 62.26 1.62 1.4911 4 -4 1 4 62.31 2.76 1.4901 2 4 5 4 64.21 1.78 1.4506 -3 4 5 4 65.08 1.87 1.4332 3 3 5 4 65.95 1.97 1.4165 4 -1 5 4 66.14 12.97 1.4129 -1 5 6 4 66.24 1.91 1.4109 4 -4 3 4 66.50 1.55 1.4060 2 0 8 4 67.62 1.94 1.3854 -5 1 0 2 68.11 1.04 1.3767 5 -1 1 4 68.16 1.32 1.3758 -4 5 1 4 68.95 1.21 1.3620 2 6 2 4 69.13 2.35 1.3588 1 5 6 4 69.33 1.18 1.3554 -2 5 6 4 69.60 1.29 1.3508 -4 5 2 4 69.68 1.51 1.3495 1 3 8 4 70.31 1.02 1.3389 -3 5 5 4 70.41 2.98 1.3373 3 3 6 4 71.04 1.13 1.3269 -1 7 3 4 71.30 1.31 1.3227 3 -3 7 4 71.33 2.18 1.3222 2 6 3 4 71.35 1.07 1.3219 1 7 1 4 71.89 5.17 1.3132 3 2 7 4 71.92 2.23 1.3128 5 -1 3 4 73.30 1.57 1.2915 4 4 2 4 74.18 1.14 1.2783 3 0 8 4 74.81 2.31 1.2691 5 1 3 4 75.09 1.03 1.2650 1 7 3 4 75.10 1.79 1.2649 2 3 8 4 75.44 2.28 1.2601 3 -2 8 4 75.47 2.42 1.2597 -3 5 6 4 75.62 1.38 1.2575 4 4 3 4 77.86 1.10 1.2268 2 7 1 4 78.31 1.27 1.2209 1 7 4 4 78.53 1.07 1.2181 0 8 0 2 78.84 1.48 1.2141 4 4 4 4 79.01 1.23 1.2118 -3 7 3 4 79.32 3.83 1.2079 1 -1 10 4 79.50 1.21 1.2056 -2 3 9 4 79.88 1.08 1.2008 1 1 10 4 80.27 1.10 1.1960 5 -5 1 4 80.36 2.99 1.1948 -2 8 1 4 81.41 1.26 1.1821 -3 5 7 4 83.31 1.08 1.1599 3 3 8 4 83.48 1.38 1.1580 5 3 3 4 83.53 1.43 1.1574 3 1 9 4 85.20 2.68 1.1389 6 0 1 4 86.24 1.37 1.1278 -3 7 5 4 86.52 1.54 1.1249 3 2 9 4 87.03 1.03 1.1196 5 -5 4 4 87.08 1.33 1.1191 5 1 6 4 87.85 1.38 1.1113 2 5 8 4 88.34 1.28 1.1064 6 -2 3 4 88.46 1.83 1.1052 3 7 2 4 88.97 4.58 1.1002 0 4 10 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.