KSb Wyckoff R W G Crystal Structures 1 (1963) 85-237 Second edition. Interscience Publishers, New York, New York _database_code_amcsd 0011629 CELL PARAMETERS: 7.1800 6.9700 13.4000 90.000 115.100 90.000 SPACE GROUP: P2_1/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 607.272 Density (g/cm3): 3.518 MAX. ABS. INTENSITY / VOLUME**2: 21.24902643 RIR: 1.967 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.62 74.96 6.5020 1 0 0 2 14.60 62.97 6.0673 0 0 2 2 14.66 3.80 6.0439 0 1 1 4 15.17 63.87 5.8408 -1 0 2 2 17.80 59.11 4.9828 -1 1 1 4 18.66 2.99 4.7544 1 1 0 4 19.40 87.44 4.5763 0 1 2 4 19.83 46.55 4.4767 -1 1 2 4 22.09 52.98 4.0232 1 1 1 4 24.06 15.41 3.6986 -1 1 3 4 25.46 3.61 3.4984 0 1 3 4 25.56 2.46 3.4850 0 2 0 2 26.61 16.36 3.3496 0 2 1 4 26.64 56.19 3.3463 -1 0 4 2 27.18 8.72 3.2807 1 1 2 4 27.43 86.14 3.2510 2 0 0 2 28.29 51.46 3.1546 -2 1 1 4 28.51 46.45 3.1307 -1 2 1 4 29.44 1.96 3.0337 0 0 4 2 29.56 9.80 3.0220 0 2 2 4 29.61 100.00 3.0167 -1 1 4 4 29.85 19.31 2.9928 -1 2 2 4 29.88 10.20 2.9907 -2 1 3 4 30.34 2.17 2.9463 2 1 0 4 30.61 1.31 2.9204 -2 0 4 2 31.44 57.99 2.8451 1 2 1 4 32.18 7.97 2.7816 0 1 4 4 32.89 10.56 2.7231 -1 2 3 4 33.26 8.88 2.6935 -2 1 4 4 33.95 63.18 2.6402 0 2 3 4 33.96 21.12 2.6398 2 1 1 4 35.30 17.75 2.5428 1 2 2 4 35.95 7.23 2.4980 -1 1 5 4 36.05 15.37 2.4914 -2 2 2 4 36.18 16.48 2.4827 -2 2 1 4 36.47 7.80 2.4634 2 0 2 2 37.47 76.49 2.4004 -2 2 3 4 37.66 11.90 2.3882 1 0 4 2 37.69 10.37 2.3868 -3 0 2 2 37.90 6.98 2.3739 -2 1 5 4 38.77 20.27 2.3226 2 1 2 4 39.31 18.20 2.2920 0 1 5 4 39.38 5.06 2.2882 0 2 4 4 39.49 2.02 2.2819 0 3 1 4 39.54 9.14 2.2791 -3 0 4 2 39.90 23.79 2.2593 1 1 4 4 39.92 17.66 2.2581 -3 1 2 4 40.10 3.22 2.2484 -3 1 3 4 40.27 47.84 2.2396 1 2 3 4 40.29 3.69 2.2384 -2 2 4 4 40.71 14.86 2.2161 -1 0 6 2 40.85 4.08 2.2089 -1 3 1 4 41.26 5.04 2.1879 1 3 0 4 41.38 14.44 2.1818 -2 0 6 2 41.67 19.88 2.1673 3 0 0 2 41.69 12.75 2.1663 -3 1 4 4 41.84 9.19 2.1588 -1 3 2 4 43.04 17.68 2.1014 1 3 1 4 43.46 3.58 2.0822 -2 1 6 4 44.16 1.77 2.0508 -1 3 3 4 44.30 1.13 2.0446 -2 2 5 4 44.57 15.40 2.0330 -3 1 5 4 45.00 7.09 2.0146 0 3 3 4 45.55 2.83 1.9916 0 2 5 4 46.07 1.64 1.9703 1 3 2 4 46.07 2.96 1.9700 1 2 4 4 46.25 8.59 1.9628 -3 2 3 4 46.67 6.02 1.9461 -2 3 2 4 46.77 3.24 1.9423 0 1 6 4 46.78 10.28 1.9420 -2 3 1 4 47.02 1.82 1.9324 1 1 5 4 47.65 8.79 1.9085 -1 3 4 4 47.68 5.18 1.9075 -3 2 4 4 48.14 7.63 1.8902 2 3 0 4 48.99 2.34 1.8592 2 0 4 2 49.41 1.96 1.8445 0 3 4 4 49.72 3.47 1.8336 -2 1 7 4 50.11 10.95 1.8205 -1 1 7 4 50.28 6.84 1.8146 -3 2 5 4 50.36 3.20 1.8120 3 0 2 2 50.68 3.69 1.8014 2 3 1 4 50.83 10.72 1.7964 2 1 4 4 51.68 3.43 1.7688 -4 0 2 2 52.16 14.56 1.7537 3 1 2 4 52.52 9.12 1.7425 0 4 0 2 52.53 7.21 1.7420 1 2 5 4 52.67 2.43 1.7378 -4 1 3 4 52.80 10.10 1.7338 1 0 6 2 52.94 4.36 1.7296 3 2 1 4 53.06 9.35 1.7260 -4 1 4 4 53.10 13.59 1.7248 0 4 1 4 53.44 8.77 1.7145 -4 1 2 4 53.46 14.86 1.7139 -3 1 7 4 53.61 8.02 1.7097 -2 3 5 4 54.19 7.54 1.6926 -1 4 1 4 54.27 3.06 1.6902 2 3 2 4 54.52 1.57 1.6831 1 4 0 4 54.55 8.85 1.6823 0 1 7 4 54.69 8.49 1.6783 0 3 5 4 54.81 3.19 1.6748 0 4 2 4 54.87 2.93 1.6732 -2 0 8 2 55.17 1.25 1.6648 -3 3 2 4 55.34 8.77 1.6602 -4 1 1 4 55.39 1.43 1.6586 -1 2 7 4 55.51 8.65 1.6555 -4 0 6 2 56.15 2.04 1.6381 -3 3 1 4 56.57 5.94 1.6270 -3 3 4 4 56.57 13.22 1.6269 -2 1 8 4 57.31 1.09 1.6077 3 2 2 4 57.47 4.07 1.6036 -1 3 6 4 57.76 1.76 1.5962 2 1 5 4 57.79 2.11 1.5955 -1 1 8 4 57.79 4.56 1.5954 -4 2 3 4 57.99 1.30 1.5905 -2 3 6 4 58.52 1.90 1.5773 -4 2 2 4 58.54 1.51 1.5768 -3 2 7 4 58.80 4.62 1.5704 2 3 3 4 58.89 1.77 1.5682 -3 3 5 4 59.10 1.85 1.5632 -2 4 1 4 59.56 2.11 1.5521 0 2 7 4 59.60 1.10 1.5513 -4 2 5 4 59.84 3.16 1.5455 -1 4 4 4 59.99 1.80 1.5420 -2 4 3 4 60.26 5.15 1.5358 2 4 0 4 60.31 1.21 1.5347 -4 2 1 4 60.71 3.95 1.5254 0 3 6 4 60.92 5.36 1.5206 1 3 5 4 61.29 3.42 1.5124 3 3 1 4 62.19 5.86 1.4926 4 1 1 4 62.21 6.33 1.4922 -3 3 6 4 62.46 6.31 1.4870 2 4 1 4 62.52 9.30 1.4856 3 2 3 4 62.68 3.74 1.4821 0 1 8 4 63.54 7.35 1.4643 -1 3 7 4 63.67 6.48 1.4616 2 0 6 2 63.74 5.34 1.4602 -1 4 5 4 64.16 1.15 1.4516 2 3 4 4 65.03 1.58 1.4341 -2 4 5 4 65.29 4.52 1.4292 -4 1 8 4 66.09 2.32 1.4137 -4 3 4 4 66.41 2.63 1.4077 1 4 4 4 66.43 4.44 1.4074 -4 3 2 4 66.43 1.59 1.4074 -3 4 2 4 66.45 6.80 1.4071 -3 3 7 4 66.85 1.14 1.3994 4 2 1 4 67.02 2.35 1.3963 -5 1 5 4 67.05 4.98 1.3958 -5 0 6 2 67.31 5.05 1.3911 -3 4 1 4 67.32 1.40 1.3908 0 2 8 4 67.40 2.93 1.3894 0 3 7 4 68.10 1.87 1.3769 -4 3 1 4 68.50 1.80 1.3698 3 2 4 4 68.50 2.36 1.3698 -1 4 6 4 68.60 1.06 1.3681 -1 5 1 4 68.97 2.27 1.3616 -2 4 6 4 69.14 1.77 1.3586 0 5 2 4 69.18 3.21 1.3580 3 4 0 4 69.19 2.43 1.3577 -2 3 8 4 69.33 1.92 1.3554 1 0 8 2 69.79 1.22 1.3475 -3 4 5 4 70.10 2.08 1.3423 -3 2 9 4 70.42 5.13 1.3371 -1 2 9 4 70.73 3.15 1.3319 4 3 0 4 70.79 2.79 1.3309 3 1 5 4 70.82 2.91 1.3305 1 1 8 4 70.82 3.01 1.3304 -5 1 1 4 70.98 5.24 1.3279 -1 5 3 4 70.99 1.67 1.3277 -5 2 4 4 71.07 1.84 1.3264 -5 1 7 4 71.44 6.20 1.3205 -5 2 3 4 71.52 3.22 1.3192 -5 2 5 4 71.53 2.11 1.3191 -3 3 8 4 71.60 1.99 1.3179 0 5 3 4 71.66 1.79 1.3170 1 4 5 4 71.85 2.76 1.3139 -2 1 10 4 72.00 1.42 1.3116 3 4 1 4 72.62 4.07 1.3019 -3 1 10 4 72.72 1.44 1.3004 5 0 0 2 73.01 1.21 1.2960 -4 3 7 4 73.04 2.24 1.2955 -5 0 8 2 73.23 1.67 1.2926 2 1 7 4 73.61 1.67 1.2868 -1 5 4 4 73.77 1.89 1.2844 -2 4 7 4 74.29 3.83 1.2767 4 3 1 4 74.50 1.51 1.2736 -5 1 8 4 74.74 2.54 1.2701 0 3 8 4 75.02 5.52 1.2661 -4 2 9 4 75.19 3.71 1.2636 3 2 5 4 75.62 3.50 1.2575 0 2 9 4 75.73 1.29 1.2560 3 4 2 4 75.90 1.25 1.2535 -2 3 9 4 76.92 3.63 1.2394 4 2 3 4 77.16 3.32 1.2363 -1 5 5 4 77.57 1.27 1.2307 2 2 7 4 77.69 2.40 1.2291 1 4 6 4 77.73 2.65 1.2286 -4 4 5 4 78.78 1.47 1.2149 -5 3 5 4 78.78 1.02 1.2148 -1 2 10 4 78.93 1.49 1.2129 4 1 4 4 79.63 1.45 1.2039 1 5 4 4 79.77 2.56 1.2023 -3 5 3 4 79.93 1.86 1.2002 -4 4 6 4 80.23 1.07 1.1965 -5 3 6 4 80.31 2.57 1.1955 0 1 10 4 80.36 1.97 1.1949 -2 1 11 4 80.42 2.25 1.1941 2 4 5 4 82.34 2.47 1.1710 3 3 5 4 82.37 3.14 1.1707 -5 3 1 4 82.73 3.35 1.1665 2 5 3 4 82.81 1.71 1.1656 -3 5 5 4 83.35 1.82 1.1594 -2 3 10 4 83.54 3.97 1.1573 5 1 2 4 83.61 1.71 1.1565 -4 1 11 4 83.61 1.35 1.1565 -1 1 11 4 84.00 2.83 1.1521 -5 1 10 4 84.39 1.30 1.1478 0 5 6 4 84.53 2.60 1.1463 1 4 7 4 84.60 1.83 1.1455 -2 2 11 4 84.67 1.57 1.1447 2 3 7 4 84.90 1.15 1.1422 3 5 1 4 85.01 1.63 1.1409 0 6 2 4 85.16 2.27 1.1394 -1 6 2 4 85.59 1.11 1.1347 5 3 0 4 87.01 1.73 1.1198 2 4 6 4 87.83 2.79 1.1115 -4 2 11 4 87.83 1.57 1.1115 -1 2 11 4 88.10 3.99 1.1088 1 6 2 4 88.49 1.17 1.1049 3 5 2 4 88.54 3.63 1.1044 -2 6 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.