Searlesite Ghose S, Wan C American Mineralogist 61 (1976) 123-129 Structural chemistry of borosilicates, part II: Searlesite, NaBSi2O5(OH): Absolute configuration, hydrogen locations, and refinement of the structure Note: unable to reproduce any of the reported bond lengths _database_code_amcsd 0000498 CELL PARAMETERS: 7.9814 7.0657 4.9054 90.000 93.950 90.000 SPACE GROUP: P2_1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 275.979 Density (g/cm3): 2.454 MAX. ABS. INTENSITY / VOLUME**2: 4.332484729 RIR: 0.575 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.11 61.17 7.9624 1 0 0 2 16.78 11.76 5.2849 1 1 0 2 18.13 1.75 4.8937 0 0 1 2 20.64 61.16 4.3036 -1 0 1 2 21.96 100.00 4.0468 1 0 1 2 22.10 1.91 4.0230 0 1 1 2 22.33 12.90 3.9812 2 0 0 2 24.21 14.50 3.6755 -1 1 1 2 25.21 62.97 3.5329 0 2 0 1 25.36 37.26 3.5116 1 1 1 2 25.68 59.18 3.4685 2 1 0 2 27.62 85.61 3.2293 1 2 0 2 27.90 52.69 3.1980 -2 0 1 2 29.89 27.76 2.9892 2 0 1 2 30.69 50.44 2.9135 -2 1 1 2 31.23 9.59 2.8644 0 2 1 2 32.52 25.34 2.7529 2 1 1 2 32.80 18.04 2.7306 -1 2 1 2 33.68 48.84 2.6614 1 2 1 2 33.77 2.90 2.6541 3 0 0 2 33.92 22.52 2.6425 2 2 0 2 36.15 10.04 2.4846 3 1 0 2 36.73 34.06 2.4469 0 0 2 2 37.42 6.98 2.4035 -3 0 1 2 37.71 12.77 2.3855 -1 0 2 2 37.95 1.37 2.3709 -2 2 1 2 39.26 1.91 2.2950 1 0 2 2 39.49 4.58 2.2819 2 2 1 2 39.73 4.22 2.2685 3 0 1 2 39.92 8.64 2.2585 1 3 0 2 41.37 2.72 2.1827 1 1 2 2 41.82 4.09 2.1599 3 1 1 2 41.99 1.88 2.1518 -2 0 2 2 42.60 8.07 2.1222 0 3 1 2 42.61 3.72 2.1220 3 2 0 2 43.82 2.37 2.0661 -1 3 1 2 43.99 11.09 2.0585 -2 1 2 2 44.51 4.83 2.0356 1 3 1 2 44.79 3.80 2.0234 2 0 2 2 45.07 4.73 2.0115 0 2 2 2 45.57 3.49 1.9906 4 0 0 2 45.90 25.87 1.9770 -1 2 2 2 46.70 5.83 1.9452 2 1 2 2 47.23 4.08 1.9245 1 2 2 2 47.45 3.67 1.9160 4 1 0 2 47.64 11.04 1.9089 3 2 1 2 47.97 23.46 1.8964 -2 3 1 2 49.26 4.64 1.8500 2 3 1 2 49.60 1.13 1.8377 -2 2 2 2 49.95 15.86 1.8257 -4 1 1 2 50.64 1.18 1.8025 -3 1 2 2 51.75 16.91 1.7664 0 4 0 1 51.90 12.88 1.7616 3 3 0 2 52.43 9.62 1.7453 4 1 1 2 52.59 2.75 1.7403 3 0 2 2 52.79 1.57 1.7343 4 2 0 2 53.11 6.77 1.7245 1 4 0 2 54.29 6.93 1.6898 3 1 2 2 54.55 6.85 1.6822 -3 3 1 2 54.77 2.72 1.6760 -1 3 2 2 55.11 1.58 1.6664 -4 2 1 2 55.76 7.19 1.6487 -3 2 2 2 55.94 1.45 1.6437 1 3 2 2 56.30 2.31 1.6341 -1 4 1 2 56.31 1.73 1.6339 3 3 1 2 56.41 5.43 1.6312 0 0 3 2 56.83 7.45 1.6202 -1 0 3 2 56.87 1.02 1.6189 1 4 1 2 57.04 6.84 1.6146 2 4 0 2 57.43 5.34 1.6046 4 2 1 2 57.91 1.46 1.5925 5 0 0 2 58.44 1.18 1.5792 -1 1 3 2 59.18 1.31 1.5611 3 2 2 2 59.25 6.12 1.5596 -4 1 2 2 59.50 7.87 1.5535 5 1 0 2 59.77 1.06 1.5473 -2 0 3 2 59.81 3.27 1.5462 -2 4 1 2 60.12 3.60 1.5390 1 1 3 2 60.30 2.47 1.5348 2 3 2 2 60.92 4.23 1.5207 2 4 1 2 61.33 5.89 1.5115 -2 1 3 2 61.39 1.22 1.5103 -5 1 1 2 62.10 3.25 1.4946 4 0 2 2 62.74 1.57 1.4810 0 2 3 2 63.06 7.57 1.4742 2 0 3 2 63.13 1.29 1.4727 -1 2 3 2 63.24 2.06 1.4705 3 4 0 2 63.66 3.55 1.4617 -3 3 2 2 64.15 2.61 1.4518 5 2 0 2 64.58 1.15 1.4432 2 1 3 2 64.74 2.63 1.4399 1 2 3 2 65.13 1.41 1.4322 0 4 2 2 65.21 4.48 1.4307 4 3 1 2 65.78 1.16 1.4196 -1 4 2 2 66.51 7.20 1.4059 -3 1 3 2 66.84 1.77 1.3998 1 4 2 2 67.16 1.45 1.3937 3 4 1 2 67.29 2.42 1.3914 1 5 0 2 68.12 3.39 1.3765 4 2 2 2 68.76 1.04 1.3653 -2 4 2 2 69.03 1.49 1.3605 2 2 3 2 69.20 4.95 1.3577 0 5 1 2 69.45 2.00 1.3533 -5 1 2 2 69.71 1.69 1.3489 3 0 3 2 70.09 1.19 1.3426 -1 5 1 2 70.60 2.34 1.3341 1 5 1 2 70.74 4.13 1.3317 2 5 0 2 70.90 1.03 1.3291 -3 2 3 2 71.16 3.51 1.3250 3 1 3 2 71.29 4.24 1.3229 -4 3 2 2 71.39 2.35 1.3212 4 4 0 2 71.52 3.83 1.3192 5 3 0 2 72.47 2.98 1.3043 6 1 0 2 72.50 1.55 1.3037 -6 0 1 2 73.10 1.51 1.2946 5 0 2 2 73.19 3.42 1.2932 -2 3 3 2 73.23 1.64 1.2926 -2 5 1 2 73.24 1.90 1.2924 -5 3 1 2 73.37 2.09 1.2905 -4 4 1 2 73.74 3.13 1.2848 -4 1 3 2 73.92 2.32 1.2822 -3 4 2 2 73.93 1.13 1.2821 -6 1 1 2 75.31 1.61 1.2619 4 3 2 2 75.37 1.09 1.2611 4 4 1 2 75.43 3.83 1.2602 3 2 3 2 75.74 1.33 1.2559 5 3 1 2 76.18 1.76 1.2496 2 3 3 2 76.35 2.77 1.2474 3 5 0 2 76.71 2.82 1.2423 6 2 0 2 76.91 4.27 1.2396 6 1 1 2 77.99 6.53 1.2252 -3 3 3 2 78.15 1.17 1.2231 -6 2 1 2 78.52 1.61 1.2182 -3 5 1 2 78.73 2.66 1.2155 5 2 2 2 79.51 1.38 1.2055 0 1 4 2 79.62 2.26 1.2041 -1 1 4 2 79.68 1.42 1.2033 4 1 3 2 79.99 1.39 1.1995 3 5 1 2 80.07 5.21 1.1984 0 4 3 2 81.13 1.26 1.1855 -4 4 2 2 81.19 3.03 1.1847 -6 1 2 2 81.35 1.01 1.1828 5 4 0 2 81.48 3.56 1.1812 -2 5 2 2 81.57 2.66 1.1801 1 1 4 2 82.39 1.00 1.1705 3 3 3 2 82.89 2.00 1.1647 -5 1 3 2 83.01 1.34 1.1634 -5 4 1 2 83.43 4.67 1.1586 2 5 2 2 83.82 1.11 1.1541 4 2 3 2 84.98 1.17 1.1414 -3 0 4 2 85.01 1.90 1.1410 4 4 2 2 85.04 1.51 1.1406 -6 3 1 2 85.69 1.72 1.1336 1 2 4 2 85.86 1.77 1.1318 2 4 3 2 85.97 1.99 1.1307 1 6 1 2 87.00 1.29 1.1199 6 1 2 2 87.80 4.19 1.1118 4 5 1 2 87.86 5.08 1.1112 -7 1 1 2 87.94 2.93 1.1104 6 3 1 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.