Frolovite Simonov M A, Kazanskaya E V, Egorov-Tismenko Y K, Zhelezi E P, Belov N V Doklady Akademii Nauk SSSR 230 (1976) 91-94 Refinement of the crystal-structure of frolovite, Ca[B(OH)4]2 Note: T = -140 C _database_code_amcsd 0019822 CELL PARAMETERS: 7.7450 5.6670 8.1020 113.240 101.540 107.920 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 289.121 Density (g/cm3): 2.271 MAX. ABS. INTENSITY / VOLUME**2: 3.113885482 RIR: 0.446 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.79 9.53 6.9231 0 0 1 2 12.92 1.04 6.8531 1 0 0 2 14.46 100.00 6.1248 -1 0 1 2 16.83 1.42 5.2685 0 -1 1 2 17.71 2.81 5.0087 -1 1 0 2 18.87 2.84 4.7026 0 1 0 2 21.34 10.65 4.1646 1 0 1 2 23.28 83.10 3.8216 -1 -1 1 2 23.29 15.23 3.8191 0 -1 2 2 24.17 6.96 3.6823 -1 0 2 2 24.38 2.70 3.6506 -2 0 1 2 24.42 1.68 3.6446 -1 1 1 2 24.72 75.58 3.6017 -2 1 0 2 25.74 78.92 3.4616 0 0 2 2 26.06 20.49 3.4198 -1 -1 2 2 27.22 2.75 3.2762 1 1 0 2 27.37 8.48 3.2582 1 -1 2 2 27.66 1.80 3.2251 0 1 1 2 31.65 31.39 2.8271 1 -2 1 2 33.00 9.56 2.7141 1 0 2 2 33.16 9.28 2.7014 2 0 1 2 33.73 1.98 2.6572 0 -2 1 2 33.88 1.47 2.6461 0 -1 3 2 33.91 7.43 2.6436 1 -2 2 2 33.96 36.83 2.6398 -2 -1 1 2 34.05 13.72 2.6328 -1 -1 3 2 34.15 25.20 2.6258 -2 -1 2 2 34.61 2.21 2.5918 -1 2 0 2 34.89 3.89 2.5718 2 -2 1 2 35.03 4.88 2.5613 -1 1 2 2 35.77 49.61 2.5105 -2 1 2 2 35.86 60.50 2.5043 -2 2 0 2 36.08 1.27 2.4897 -3 1 1 2 36.20 20.82 2.4813 2 -1 2 2 36.22 21.43 2.4802 -1 0 3 2 36.61 1.92 2.4544 -3 0 1 2 38.18 2.09 2.3574 -2 0 3 2 38.28 7.91 2.3513 0 2 0 2 38.41 1.34 2.3434 -3 0 2 2 38.59 36.44 2.3332 2 1 0 2 38.62 26.86 2.3315 1 -1 3 2 38.69 23.39 2.3270 2 -2 2 2 39.02 20.93 2.3082 -1 -2 2 2 39.03 14.83 2.3077 0 0 3 2 39.09 2.69 2.3045 -2 -1 3 2 39.09 6.44 2.3044 0 -2 3 2 39.14 16.50 2.3015 0 1 2 2 39.45 22.96 2.2844 3 0 0 2 40.41 3.44 2.2320 -1 -2 1 2 40.63 3.82 2.2206 1 -2 3 2 41.12 3.37 2.1954 -3 1 2 2 41.82 2.31 2.1599 -1 2 1 2 42.03 21.71 2.1496 -1 -2 3 2 42.38 21.82 2.1327 3 -2 1 2 43.46 11.14 2.0823 2 0 2 2 44.37 14.35 2.0416 -3 0 3 2 44.84 13.64 2.0213 -1 -1 4 2 45.06 23.00 2.0118 -3 2 1 2 45.07 17.96 2.0115 -3 -1 2 2 45.88 5.45 1.9781 1 0 3 2 46.18 2.23 1.9657 0 -1 4 2 46.28 9.98 1.9616 2 -2 3 2 46.40 10.58 1.9570 -3 -1 1 2 46.47 2.58 1.9542 0 2 1 2 46.49 3.23 1.9535 -2 1 3 2 47.01 5.15 1.9328 2 -1 3 2 47.02 17.76 1.9326 1 1 2 2 47.06 3.36 1.9309 -4 1 1 2 47.12 7.31 1.9287 3 -2 2 2 47.35 4.85 1.9198 -1 1 3 2 47.53 11.57 1.9131 3 -1 2 2 47.53 2.02 1.9129 -2 -1 4 2 48.09 7.55 1.8922 -4 1 0 2 48.37 10.32 1.8817 1 -3 2 2 48.77 14.10 1.8672 -1 -2 4 2 48.79 1.75 1.8663 -2 -2 3 2 49.34 5.28 1.8471 -1 0 4 2 49.41 2.03 1.8445 2 -3 1 2 49.46 15.65 1.8427 1 -3 1 2 49.51 6.69 1.8412 -2 0 4 2 49.85 9.32 1.8292 -4 1 2 2 49.91 1.95 1.8271 -4 0 1 2 49.97 6.66 1.8253 -4 0 2 2 50.05 10.86 1.8223 -2 2 2 2 50.33 6.41 1.8130 1 -2 4 2 50.69 2.83 1.8008 -4 2 0 2 50.85 3.42 1.7958 0 -3 2 2 51.31 2.85 1.7805 1 -1 4 2 51.98 5.00 1.7591 0 1 3 2 52.08 3.43 1.7562 0 -3 3 2 52.67 3.40 1.7379 4 -2 1 2 52.75 7.89 1.7353 4 -1 1 2 52.76 1.04 1.7349 -2 3 0 2 53.08 1.21 1.7253 3 -3 1 2 53.23 8.45 1.7209 0 -3 1 2 53.38 12.37 1.7163 -3 0 4 2 53.48 5.33 1.7133 4 0 0 2 53.63 5.53 1.7088 -4 0 3 2 53.64 2.16 1.7087 2 -3 3 2 53.80 2.06 1.7040 -3 -1 4 2 54.13 5.15 1.6944 -1 3 0 2 54.43 5.28 1.6856 1 2 1 2 54.68 1.20 1.6787 3 -3 2 2 55.00 1.34 1.6696 -3 3 0 2 55.06 1.41 1.6678 3 -2 3 2 55.77 1.26 1.6483 3 0 2 2 56.15 3.05 1.6381 2 2 0 2 56.49 12.75 1.6291 2 -2 4 2 56.76 2.80 1.6220 0 -3 4 2 56.78 1.59 1.6215 -1 -3 2 2 57.03 1.70 1.6149 1 -3 4 2 57.12 2.04 1.6126 0 2 2 2 57.40 2.36 1.6053 -4 2 2 2 57.50 1.13 1.6028 2 1 2 2 58.01 2.22 1.5900 4 -2 2 2 58.36 3.77 1.5811 -2 -1 5 2 58.51 3.94 1.5774 0 -2 5 2 58.57 4.67 1.5759 -3 -2 2 2 58.92 5.85 1.5675 0 3 0 2 58.93 4.34 1.5672 -2 1 4 2 59.49 3.04 1.5537 3 1 1 2 59.59 1.35 1.5514 3 -3 3 2 59.76 2.78 1.5474 1 1 3 2 59.77 2.52 1.5473 -5 1 1 2 60.05 4.73 1.5406 -4 -1 1 2 60.21 2.04 1.5370 -3 3 1 2 60.22 1.64 1.5368 -1 -3 1 2 60.46 4.29 1.5312 -4 0 4 2 60.88 1.25 1.5216 -1 1 4 2 61.09 1.14 1.5169 -2 2 3 2 61.41 1.33 1.5098 -2 -2 5 2 61.61 1.40 1.5055 -3 2 3 2 61.81 4.75 1.5010 -1 3 1 2 61.84 2.10 1.5003 -5 1 0 2 62.03 3.25 1.4963 -3 -2 1 2 62.03 3.47 1.4962 -5 2 0 2 62.71 1.54 1.4815 -3 -1 5 2 63.11 1.00 1.4732 -5 0 2 2 63.85 1.64 1.4579 -1 2 3 2 64.24 2.01 1.4499 -5 0 1 2 64.29 1.05 1.4489 -2 -3 3 2 64.39 1.77 1.4468 0 -3 5 2 64.62 1.01 1.4423 -3 0 5 2 65.14 2.20 1.4321 -5 0 3 2 65.35 1.28 1.4279 -4 2 3 2 65.51 1.38 1.4249 4 1 0 2 65.81 1.28 1.4191 1 -3 5 2 66.10 3.24 1.4135 2 -4 2 2 66.18 2.60 1.4121 -1 -3 5 2 66.97 1.06 1.3973 1 -4 2 2 67.22 4.08 1.3927 2 -4 3 2 68.07 1.07 1.3774 2 -4 1 2 68.36 1.48 1.3722 4 -3 3 2 68.46 1.23 1.3705 3 2 0 2 69.79 1.34 1.3477 0 -4 3 2 69.87 3.69 1.3463 -2 -3 1 2 69.91 1.93 1.3456 -4 0 5 2 70.08 1.49 1.3427 2 1 3 2 70.19 1.53 1.3409 -5 0 4 2 70.32 1.19 1.3387 2 -3 5 2 70.60 1.70 1.3340 3 -4 3 2 70.68 5.21 1.3329 4 -1 3 2 71.02 3.03 1.3273 -4 3 2 2 71.03 1.95 1.3271 -2 -3 5 2 71.25 2.31 1.3235 -1 -1 6 2 71.41 1.70 1.3210 -5 3 1 2 71.70 2.14 1.3164 -2 -2 6 2 73.16 1.43 1.2935 5 -3 2 2 73.67 2.25 1.2859 4 -4 2 2 73.99 1.74 1.2812 1 1 4 2 74.02 3.41 1.2806 -2 2 4 2 74.35 4.50 1.2758 -5 -1 4 2 74.46 6.60 1.2741 0 -1 6 2 74.93 1.05 1.2673 5 -1 2 2 75.15 2.56 1.2643 -3 -3 4 2 75.75 1.04 1.2557 3 -4 4 2 75.79 1.84 1.2551 1 3 1 2 76.24 1.84 1.2488 -4 1 5 2 76.53 1.20 1.2449 -6 2 2 2 76.91 1.91 1.2396 -6 1 3 2 76.92 1.76 1.2395 4 -4 3 2 76.99 2.26 1.2386 -6 1 0 2 77.69 1.51 1.2291 3 -3 5 2 77.82 1.68 1.2274 -3 0 6 2 78.32 2.11 1.2209 2 -4 5 2 78.78 1.87 1.2149 -3 3 3 2 79.04 1.33 1.2115 6 -2 1 2 80.16 1.58 1.1973 -2 3 3 2 81.12 1.03 1.1856 3 0 4 2 81.48 1.11 1.1812 -6 2 3 2 81.54 2.47 1.1806 6 -3 1 2 81.76 1.56 1.1779 5 -4 2 2 82.80 1.76 1.1657 2 -2 6 2 83.14 1.51 1.1618 4 -1 4 2 83.85 1.35 1.1539 0 0 6 2 83.99 1.89 1.1522 0 -4 6 2 84.58 1.78 1.1457 2 0 5 2 84.71 2.23 1.1442 -1 4 1 2 85.19 3.30 1.1390 5 0 2 2 85.98 1.03 1.1305 5 -4 3 2 86.26 4.02 1.1277 -5 4 1 2 88.44 1.10 1.1054 -5 0 6 2 88.72 1.95 1.1026 -2 1 6 2 89.00 1.09 1.0999 -2 2 5 2 89.22 1.90 1.0977 -6 2 4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.