Foordite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R130012 Ercit T S, Cerny P The Canadian Mineralogist 26 (1988) 899-903 The crystal structure of foordite _database_code_amcsd 0005219 CELL PARAMETERS: 17.0730 4.8670 5.5590 90.000 90.890 90.000 SPACE GROUP: C2/c ATOM X Y Z OCCUPANCY ISO(B) Sn 0.00000 0.24046 0.25000 1.000 1.797 Nb 0.33007 0.25807 0.32770 1.000 1.117 O 0.42690 0.42010 0.40130 1.000 1.542 O 0.35740 0.04190 0.06920 1.000 1.526 O 0.21920 0.06320 0.35270 1.000 1.263 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 15 +/- 4 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 83.37462052 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 18.96 2.33 4.6805 1 1 0 24.82 24.25 3.5878 -1 1 1 24.92 6.84 3.5727 1 1 1 28.86 98.96 3.0937 -3 1 1 29.14 100.00 3.0650 3 1 1 31.44 40.17 2.8452 6 0 0 32.21 18.90 2.7792 0 0 2 33.76 2.20 2.6548 -2 0 2 34.08 11.64 2.6306 2 0 2 36.15 4.70 2.4845 5 1 1 36.94 17.74 2.4335 0 2 0 38.38 9.09 2.3456 -4 0 2 40.40 3.17 2.2327 -3 1 2 41.41 2.52 2.1803 7 1 0 44.42 5.92 2.0394 -7 1 1 45.26 6.29 2.0037 -6 0 2 46.00 8.86 1.9728 6 0 2 49.27 24.25 1.8493 6 2 0 49.81 13.51 1.8308 0 2 2 50.90 1.71 1.7939 -2 2 2 51.13 9.68 1.7864 2 2 2 53.08 17.49 1.7252 -1 1 3 54.23 12.29 1.6913 -9 1 1 54.32 9.18 1.6888 -4 2 2 54.63 2.33 1.6800 8 0 2 54.73 18.68 1.6772 9 1 1 54.76 2.94 1.6763 4 2 2 55.23 2.30 1.6633 -3 1 3 55.71 3.59 1.6499 3 1 3 59.59 1.62 1.5515 -1 3 1 59.79 5.53 1.5468 -6 2 2 60.28 6.96 1.5353 5 1 3 60.40 7.27 1.5325 6 2 2 61.68 8.91 1.5038 -3 3 1 61.83 9.65 1.5005 3 3 1 63.51 4.76 1.4648 -10 0 2 65.63 3.94 1.4226 12 0 0 65.68 7.06 1.4216 -7 1 3 65.80 1.48 1.4192 -5 3 1 67.78 2.40 1.3825 8 2 2 68.59 3.92 1.3682 2 0 4 71.01 3.37 1.3274 -4 0 4 71.77 1.39 1.3151 -7 3 1 74.77 1.43 1.2697 9 1 3 75.56 1.98 1.2584 12 0 2 75.80 1.78 1.2550 -10 2 2 76.87 1.14 1.2401 -13 1 1 77.76 4.65 1.2281 12 2 0 78.51 2.19 1.2183 -1 3 3 78.63 2.16 1.2168 0 4 0 79.45 3.27 1.2062 -9 3 1 79.86 2.54 1.2011 9 3 1 80.54 3.57 1.1926 2 2 4 82.84 3.64 1.1653 -4 2 4 83.63 2.34 1.1563 8 0 4 84.42 2.16 1.1474 11 1 3 84.59 3.14 1.1456 5 3 3 86.14 1.36 1.1289 -12 2 2 87.12 3.41 1.1187 6 4 0 87.21 2.00 1.1178 12 2 2 87.52 1.51 1.1146 0 4 2 89.40 2.59 1.0960 -7 3 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.