Ottemannite Kniep R, Mootz D, Severin U, Wunderlich H Acta Crystallographica B38 (1982) 2022-2023 Structure of tin(II) tin(IV) trisulphide, a redetermination Locality: synthetic _database_code_amcsd 0009775 CELL PARAMETERS: 8.8780 3.7510 14.0200 90.000 90.000 90.000 SPACE GROUP: Pnma X-RAY WAVELENGTH: 1.541838 Cell Volume: 466.885 Density (g/cm3): 4.746 MAX. ABS. INTENSITY / VOLUME**2: 45.72087844 RIR: 3.137 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.80 1.07 7.5006 1 0 1 4 12.63 16.53 7.0100 0 0 2 2 16.11 64.69 5.5017 1 0 2 4 20.00 6.14 4.4390 2 0 0 2 21.49 74.00 4.1354 1 0 3 4 23.72 28.54 3.7503 2 0 2 4 24.57 9.37 3.6236 0 1 1 4 26.57 31.02 3.3549 1 1 1 8 27.36 8.50 3.2601 1 0 4 4 27.72 22.85 3.2185 2 0 3 4 28.81 44.98 3.0992 1 1 2 8 30.56 5.26 2.9253 0 1 3 4 30.88 20.85 2.8955 3 0 1 4 31.22 41.81 2.8651 2 1 0 4 31.88 100.00 2.8071 2 1 1 8 32.55 26.59 2.7509 2 0 4 4 33.52 24.58 2.6738 1 0 5 4 33.80 40.06 2.6521 2 1 2 8 35.92 3.36 2.5002 3 0 3 4 36.52 7.62 2.4606 1 1 4 8 36.80 5.77 2.4426 2 1 3 8 37.95 16.01 2.3706 2 0 5 4 38.53 3.00 2.3367 0 0 6 2 39.89 14.31 2.2597 1 0 6 4 40.15 50.86 2.2459 0 1 5 4 40.65 2.26 2.2195 4 0 0 2 40.67 1.69 2.2183 2 1 4 8 41.18 2.54 2.1922 4 0 1 4 42.73 14.16 2.1160 4 0 2 4 43.50 2.48 2.0804 3 1 3 8 43.78 7.69 2.0677 2 0 6 4 45.23 8.35 2.0049 4 0 3 4 45.25 1.07 2.0040 2 1 5 8 46.48 5.18 1.9538 1 0 7 4 46.92 63.67 1.9365 3 1 4 8 46.94 7.40 1.9356 1 1 6 8 47.61 1.02 1.9102 4 1 0 4 48.07 13.20 1.8927 4 1 1 8 48.54 26.60 1.8755 0 2 0 2 48.55 4.61 1.8752 4 0 4 4 49.46 19.58 1.8430 4 1 2 8 49.96 2.32 1.8256 2 0 7 4 51.05 2.49 1.7890 3 1 5 8 51.48 5.19 1.7752 1 2 2 8 51.70 6.32 1.7682 4 1 3 8 52.19 3.50 1.7525 0 0 8 2 52.59 1.26 1.7403 4 0 5 4 52.83 12.04 1.7328 1 1 7 8 53.66 10.70 1.7080 1 2 3 8 54.72 5.05 1.6774 2 2 2 8 54.73 3.06 1.6773 4 1 4 8 55.35 5.27 1.6598 5 0 3 4 55.80 1.74 1.6475 3 1 6 8 56.02 9.01 1.6415 2 1 7 8 56.62 2.19 1.6257 1 2 4 8 56.82 5.14 1.6204 2 2 3 8 57.25 2.33 1.6093 4 0 6 4 57.83 3.52 1.5945 5 1 1 8 58.25 7.18 1.5839 5 0 4 4 58.65 6.15 1.5741 3 2 1 8 59.05 3.36 1.5644 5 1 2 8 59.11 11.08 1.5630 1 1 8 8 59.67 7.13 1.5496 2 2 4 8 60.28 6.93 1.5354 1 2 5 8 61.85 3.21 1.5001 5 0 5 4 62.08 1.98 1.4950 2 1 8 8 62.46 2.22 1.4869 4 0 7 4 62.80 7.07 1.4797 6 0 0 2 63.19 1.89 1.4715 6 0 1 4 63.22 6.04 1.4709 2 2 5 8 63.62 1.04 1.4626 0 2 6 4 64.35 1.37 1.4478 6 0 2 4 64.58 5.72 1.4432 1 2 6 8 65.50 1.08 1.4251 4 2 1 8 65.76 2.66 1.4201 1 1 9 8 66.63 6.13 1.4035 4 2 2 8 67.41 3.40 1.3892 2 2 6 8 67.80 4.51 1.3823 4 1 7 8 68.01 13.80 1.3785 3 0 9 4 68.50 1.24 1.3699 6 1 1 8 68.51 4.05 1.3696 4 2 3 8 69.47 2.56 1.3530 1 2 7 8 71.09 2.42 1.3261 4 2 4 8 71.45 2.15 1.3204 6 1 3 8 72.21 1.34 1.3082 2 2 7 8 72.80 4.38 1.2991 1 1 10 8 73.99 1.16 1.2812 6 1 4 8 74.03 2.04 1.2805 0 2 8 4 75.33 1.69 1.2616 1 0 11 4 75.49 1.67 1.2593 2 1 10 8 76.67 3.26 1.2430 5 2 3 8 77.21 8.40 1.2356 6 1 5 8 77.38 1.18 1.2333 1 3 1 8 78.28 1.47 1.2213 4 2 6 8 78.44 1.77 1.2192 1 3 2 8 79.15 4.99 1.2101 5 2 4 8 79.67 2.02 1.2035 2 3 0 4 80.02 4.58 1.1991 2 3 1 8 80.29 3.44 1.1958 1 1 11 8 81.07 2.29 1.1861 2 3 2 8 81.23 2.00 1.1842 7 1 2 8 81.29 3.86 1.1836 5 1 8 8 82.31 2.43 1.1715 5 2 5 8 82.85 1.69 1.1652 4 2 7 8 82.98 1.29 1.1636 7 1 3 8 83.16 5.49 1.1617 6 2 0 4 83.50 1.47 1.1577 6 2 1 8 84.55 1.19 1.1460 6 2 2 8 84.92 4.11 1.1419 0 3 5 4 86.01 1.30 1.1302 4 1 10 8 86.05 1.74 1.1299 2 0 12 4 87.21 6.28 1.1178 5 1 9 8 87.91 12.18 1.1107 3 2 9 8 88.54 1.09 1.1044 7 1 5 8 89.59 7.30 1.0942 3 3 4 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.