H N S7 Gasperin M, Freymann R, Garcia-Fernandez H Acta Crystallographica B38 (1982) 1728-1731 Les Complexes a Transfert de Charge Octasoufre - Sulfurimine. Etude Structurale du Compose Octasoufre - Cyclotetraazathiane (3:1) _cod_database_code 1001159 _database_code_amcsd 0009767 CELL PARAMETERS: 8.4400 13.0340 8.2030 90.000 112.490 90.000 SPACE GROUP: P2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 833.757 Density (g/cm3): 1.899 MAX. ABS. INTENSITY / VOLUME**2: 5.567939753 RIR: 0.954 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.35 19.92 7.7981 1 0 0 2 13.23 2.56 6.6919 1 1 0 4 13.51 16.43 6.5519 0 1 1 4 13.59 8.81 6.5170 0 2 0 2 17.74 1.39 5.0006 1 2 0 4 20.38 5.80 4.3567 1 1 1 4 21.80 9.71 4.0760 -1 0 2 2 22.81 12.78 3.8991 2 0 0 2 22.86 7.01 3.8902 -1 1 2 4 23.44 15.00 3.7954 1 3 0 4 23.48 7.96 3.7896 0 0 2 2 23.60 10.03 3.7693 0 3 1 4 23.82 100.00 3.7355 2 1 0 4 24.19 19.19 3.6789 -1 3 1 4 24.46 97.04 3.6389 0 1 2 4 25.32 1.50 3.5170 -2 2 1 4 25.76 38.05 3.4578 -2 0 2 2 25.78 2.38 3.4558 -1 2 2 4 26.64 5.39 3.3459 2 2 0 4 27.22 8.35 3.2760 0 2 2 4 27.37 15.21 3.2585 0 4 0 2 28.19 13.53 3.1659 1 3 1 4 29.24 47.09 3.0545 -2 2 2 4 29.67 19.91 3.0114 -2 3 1 4 29.71 16.78 3.0066 1 4 0 4 29.85 11.80 2.9936 0 4 1 4 29.90 1.63 2.9885 1 0 2 2 30.06 69.84 2.9726 -1 3 2 4 30.30 6.02 2.9493 2 1 1 4 30.32 11.73 2.9477 -1 4 1 4 30.69 25.71 2.9129 1 1 2 4 31.32 1.63 2.8559 0 3 2 4 32.59 5.20 2.7476 -3 1 1 4 32.61 11.16 2.7460 2 2 1 4 32.97 1.83 2.7165 1 2 2 4 33.53 1.33 2.6729 -3 0 2 2 33.65 30.87 2.6633 1 4 1 4 34.25 1.39 2.6184 -3 1 2 4 34.76 60.53 2.5809 -3 2 1 4 34.82 10.56 2.5762 -2 1 3 4 34.92 11.22 2.5694 -2 4 1 4 35.21 5.38 2.5492 3 1 0 4 35.26 5.44 2.5452 -1 4 2 4 35.67 3.27 2.5171 -1 2 3 4 35.92 4.97 2.5003 2 4 0 4 36.16 2.98 2.4841 2 3 1 4 36.22 3.97 2.4802 0 1 3 4 36.33 17.55 2.4730 -3 2 2 4 36.34 26.83 2.4723 1 5 0 4 36.49 10.96 2.4622 1 3 2 4 36.85 3.64 2.4393 -1 5 1 4 37.24 2.54 2.4144 3 2 0 4 37.94 1.20 2.3715 -2 4 2 4 38.21 3.88 2.3556 0 2 3 4 39.71 12.60 2.2700 -3 1 3 4 40.10 1.96 2.2487 -2 3 3 4 40.68 2.62 2.2181 2 4 1 4 40.98 4.19 2.2025 1 4 2 4 41.10 1.42 2.1961 -1 5 2 4 41.34 7.75 2.1840 0 3 3 4 41.55 1.58 2.1733 -3 2 3 4 42.18 1.33 2.1426 1 1 3 4 43.18 7.89 2.0952 3 2 1 4 43.23 1.14 2.0927 1 6 0 4 43.90 3.32 2.0625 -4 1 2 4 44.59 1.71 2.0320 3 4 0 4 44.69 1.67 2.0278 -1 0 4 2 45.02 4.06 2.0136 -2 1 4 4 45.43 1.68 1.9966 0 4 3 4 45.61 1.87 1.9891 -4 2 2 4 45.94 15.73 1.9755 2 5 1 4 46.03 3.70 1.9717 3 3 1 4 46.21 2.50 1.9645 1 5 2 4 46.76 1.30 1.9428 1 3 3 4 46.93 2.00 1.9362 -1 2 4 4 47.16 4.70 1.9273 -2 6 1 4 47.26 4.46 1.9233 -4 1 3 4 47.34 1.27 1.9202 -3 0 4 2 47.42 8.85 1.9171 -1 6 2 4 47.88 3.18 1.8997 -3 1 4 4 48.28 7.30 1.8852 2 4 2 4 48.29 5.37 1.8846 0 6 2 4 48.35 4.90 1.8825 -4 3 2 4 48.76 3.15 1.8677 4 2 0 4 48.80 1.76 1.8662 -3 5 2 4 48.88 1.76 1.8634 -4 2 3 4 49.39 10.61 1.8451 -2 3 4 4 49.48 2.23 1.8419 -3 2 4 4 49.52 1.39 1.8407 3 5 0 4 49.53 1.03 1.8402 3 0 2 2 49.56 2.64 1.8395 -2 6 2 4 49.61 3.09 1.8375 -1 3 4 4 49.81 4.23 1.8306 3 4 1 4 50.06 1.71 1.8221 3 1 2 4 50.14 3.34 1.8194 0 2 4 4 50.49 9.51 1.8077 2 1 3 4 50.78 1.09 1.7980 -1 7 1 4 51.37 1.21 1.7787 4 3 0 4 51.49 5.85 1.7749 -4 3 3 4 51.96 9.75 1.7597 -4 4 1 4 52.03 6.11 1.7577 2 2 3 4 52.07 1.13 1.7563 -3 3 4 4 52.94 2.45 1.7294 2 5 2 4 53.27 1.26 1.7196 4 1 1 4 53.91 7.57 1.7007 -2 7 1 4 53.95 7.85 1.6996 -1 6 3 4 54.00 3.39 1.6982 1 0 4 2 54.15 2.73 1.6937 -1 7 2 4 54.39 3.92 1.6869 3 5 1 4 54.43 1.11 1.6858 -3 6 2 4 54.49 4.69 1.6840 1 1 4 4 54.76 2.16 1.6764 4 2 1 4 54.83 1.66 1.6744 -2 6 3 4 54.94 3.35 1.6712 0 7 2 4 54.94 4.92 1.6711 -4 2 4 4 55.10 1.06 1.6669 3 6 0 4 55.90 3.69 1.6447 -5 1 1 4 56.10 2.92 1.6394 -2 7 2 4 56.15 2.59 1.6380 0 4 4 4 56.41 9.64 1.6310 -4 5 1 4 56.54 3.60 1.6277 -2 1 5 4 57.18 1.03 1.6111 4 3 1 4 57.39 3.43 1.6056 -2 5 4 4 57.81 1.00 1.5948 1 8 0 4 57.89 1.70 1.5929 0 8 1 4 57.91 1.93 1.5925 2 4 3 4 57.97 2.95 1.5909 -2 2 5 4 58.14 8.80 1.5868 -5 2 3 4 58.16 1.06 1.5861 2 7 1 4 58.34 1.04 1.5817 1 3 4 4 59.18 1.07 1.5612 4 5 0 4 59.25 1.04 1.5596 5 0 0 2 59.29 2.14 1.5587 -4 5 3 4 59.69 1.68 1.5490 -5 3 1 4 60.25 1.37 1.5360 1 6 3 4 60.30 1.75 1.5348 -2 3 5 4 60.40 5.19 1.5327 0 5 4 4 60.46 1.58 1.5313 4 4 1 4 60.61 4.35 1.5278 -3 7 2 4 60.63 2.16 1.5273 -4 4 4 4 60.79 1.37 1.5236 -5 0 4 2 61.23 1.65 1.5137 3 7 0 4 61.27 1.61 1.5129 -1 8 2 4 61.56 2.76 1.5064 -4 6 1 4 61.70 1.18 1.5033 2 8 0 4 61.93 1.47 1.4982 -5 4 2 4 62.00 1.46 1.4968 0 8 2 4 62.49 5.54 1.4863 -2 6 4 4 62.95 1.51 1.4764 0 2 5 4 63.04 1.12 1.4747 4 2 2 4 63.36 1.85 1.4679 5 3 0 4 64.29 3.93 1.4489 -4 6 3 4 64.31 2.14 1.4485 -3 7 3 4 64.32 4.23 1.4482 0 9 0 2 65.00 2.87 1.4347 2 8 1 4 65.63 5.37 1.4225 0 9 1 4 65.89 1.66 1.4175 -1 9 1 4 66.54 1.12 1.4054 -6 0 2 2 66.97 2.41 1.3973 -6 1 2 4 67.71 1.65 1.3837 1 1 5 4 68.24 1.88 1.3744 0 4 5 4 68.96 1.49 1.3618 -6 2 3 4 69.14 1.41 1.3587 -3 0 6 2 69.16 1.39 1.3583 2 4 4 4 69.24 1.26 1.3570 -2 1 6 4 69.32 1.05 1.3556 4 6 1 4 69.47 1.63 1.3531 5 3 1 4 69.95 1.18 1.3449 -4 7 3 4 70.75 2.40 1.3317 2 8 2 4 71.29 1.17 1.3229 -1 1 6 4 71.60 1.60 1.3180 -5 3 5 4 71.98 3.76 1.3119 4 1 3 4 72.53 1.14 1.3033 1 8 3 4 72.76 1.42 1.2997 6 0 0 2 72.95 1.83 1.2967 -3 3 6 4 72.98 1.31 1.2964 2 5 4 4 73.40 3.35 1.2900 -3 6 5 4 73.72 1.57 1.2852 -4 8 1 4 74.52 1.13 1.2733 -3 9 2 4 74.57 1.19 1.2726 -2 8 4 4 75.17 1.26 1.2640 -6 4 1 4 75.22 1.11 1.2632 0 0 6 2 75.32 1.73 1.2618 4 3 3 4 75.84 1.17 1.2545 1 10 1 4 76.49 1.27 1.2454 -6 1 5 4 77.23 3.26 1.2352 -5 1 6 4 78.24 1.30 1.2218 -5 5 5 4 78.62 2.75 1.2168 -1 7 5 4 79.18 2.18 1.2096 2 3 5 4 80.69 2.01 1.1909 5 6 1 4 81.31 1.19 1.1833 -7 2 3 4 81.77 1.25 1.1778 0 4 6 4 83.45 1.05 1.1583 0 10 3 4 85.94 1.83 1.1311 5 7 1 4 87.25 2.50 1.1174 3 2 5 4 87.58 1.23 1.1140 7 0 0 2 89.83 1.50 1.0919 -3 -11 1 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.