Ba1.14 K0.72 S4 V Vincent H, Anne M, Chang A, Marcus J Journal of Solid State Chemistry 61 (1986) 332-337 Synthese et structure cristalline de Ba1.14 K.72 V S4 _cod_database_code 1008319 _database_code_amcsd 0016234 CELL PARAMETERS: 9.1580 12.1440 6.7290 90.000 90.000 90.000 SPACE GROUP: Pna2_1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 748.364 Density (g/cm3): 3.229 MAX. ABS. INTENSITY / VOLUME**2: 13.36188086 RIR: 1.347 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.10 43.83 7.3119 1 1 0 4 14.59 4.14 6.0720 0 2 0 2 15.05 59.44 5.8858 0 1 1 2 17.52 31.52 5.0607 1 2 0 4 17.91 21.83 4.9514 1 1 1 4 19.38 3.55 4.5790 2 0 0 2 20.73 7.13 4.2845 2 1 0 4 21.98 98.14 4.0445 1 2 1 4 24.04 45.02 3.7024 1 3 0 4 24.35 30.88 3.6560 2 2 0 4 24.63 96.86 3.6141 2 1 1 4 25.68 44.57 3.4687 0 3 1 2 26.49 100.00 3.3645 0 0 2 1 27.50 6.27 3.2438 1 3 1 4 27.77 8.27 3.2124 2 2 1 4 29.22 35.06 3.0565 1 1 2 4 29.42 59.23 3.0360 0 4 0 2 29.45 10.49 3.0328 2 3 0 4 30.19 72.80 2.9606 3 1 0 4 30.37 1.78 2.9429 0 2 2 2 31.03 9.00 2.8818 1 4 0 4 31.94 13.05 2.8018 1 2 2 4 33.04 24.00 2.7113 2 0 2 2 33.06 44.89 2.7099 3 1 1 4 33.84 65.75 2.6491 1 4 1 4 33.88 55.84 2.6461 2 1 2 4 35.52 14.92 2.5277 3 2 1 4 36.07 77.38 2.4900 1 3 2 4 36.29 37.22 2.4757 2 2 2 4 36.88 57.92 2.4373 3 3 0 4 38.34 6.90 2.3476 1 5 0 4 39.32 10.12 2.2916 3 3 1 4 39.35 10.13 2.2895 4 0 0 2 39.44 24.73 2.2845 0 5 1 2 40.00 13.83 2.2540 0 4 2 2 40.02 13.59 2.2527 2 3 2 4 40.08 8.11 2.2499 4 1 0 4 40.59 18.43 2.2226 3 1 2 4 40.70 4.93 2.2166 1 5 1 4 40.92 4.28 2.2057 0 1 3 2 41.67 7.07 2.1675 4 0 1 2 41.97 9.12 2.1526 3 4 0 4 42.14 2.14 2.1444 1 1 3 4 42.36 11.36 2.1338 4 1 1 4 44.17 15.03 2.0506 1 2 3 4 44.17 24.77 2.0503 3 4 1 4 44.31 10.28 2.0442 2 5 1 4 44.38 2.72 2.0413 4 2 1 4 44.82 5.35 2.0223 2 4 2 4 45.52 2.33 1.9928 4 3 0 4 45.65 17.62 1.9872 2 1 3 4 45.98 9.05 1.9738 3 3 2 4 46.27 7.04 1.9619 0 3 3 2 47.21 9.30 1.9253 1 5 2 4 47.56 1.68 1.9119 2 2 3 4 47.59 1.96 1.9108 4 3 1 4 48.07 18.55 1.8928 4 0 2 2 49.22 12.06 1.8512 2 6 0 4 49.86 1.37 1.8291 3 5 1 4 49.89 1.29 1.8280 4 4 0 4 50.32 12.07 1.8133 3 4 2 4 50.38 1.25 1.8111 5 1 0 4 50.45 4.58 1.8091 2 5 2 4 50.51 1.44 1.8071 4 2 2 4 51.09 10.47 1.7878 3 1 3 4 51.18 4.73 1.7849 2 6 1 4 51.64 17.39 1.7700 1 4 3 4 51.83 1.06 1.7640 4 4 1 4 52.16 6.91 1.7536 5 2 0 4 52.78 1.83 1.7344 0 6 2 2 52.85 4.03 1.7324 3 2 3 4 53.44 4.84 1.7146 4 3 2 4 53.80 2.44 1.7041 1 6 2 4 54.55 23.05 1.6823 0 0 4 1 54.63 12.25 1.6799 0 7 1 2 55.03 1.17 1.6687 5 3 0 4 55.13 7.32 1.6660 4 5 0 4 55.62 2.59 1.6524 1 7 1 4 55.69 3.15 1.6505 3 3 3 4 55.79 7.09 1.6478 0 5 3 2 56.10 1.71 1.6394 1 1 4 4 56.76 29.25 1.6219 2 6 2 4 56.77 1.60 1.6218 1 5 3 4 56.85 5.84 1.6197 5 3 1 4 56.94 8.65 1.6172 4 5 1 4 57.37 4.02 1.6062 4 4 2 4 57.52 2.09 1.6022 4 0 3 2 57.75 1.75 1.5964 1 2 4 4 57.82 5.30 1.5947 5 1 2 4 58.07 3.92 1.5885 4 1 3 4 58.52 11.99 1.5771 2 7 1 4 59.44 22.91 1.5550 5 2 2 4 59.52 8.02 1.5531 3 4 3 4 59.63 3.99 1.5505 2 5 3 4 60.44 6.03 1.5316 1 3 4 4 60.59 3.77 1.5282 2 2 4 4 60.63 12.09 1.5274 5 4 1 4 60.67 3.01 1.5263 6 0 0 2 60.93 2.61 1.5205 1 7 2 4 61.04 1.80 1.5180 0 8 0 2 61.20 2.39 1.5144 6 1 0 4 61.97 1.99 1.4976 1 8 0 4 62.09 8.28 1.4950 5 3 2 4 62.38 5.09 1.4885 6 0 1 2 62.82 3.13 1.4793 4 6 1 4 62.90 1.90 1.4775 6 1 1 4 63.19 8.01 1.4715 0 4 4 2 63.21 1.25 1.4711 2 3 4 4 63.62 10.23 1.4626 3 1 4 4 63.66 6.57 1.4618 1 8 1 4 64.10 1.10 1.4528 1 4 4 4 64.45 1.12 1.4457 6 2 1 4 65.30 6.63 1.4290 5 5 1 4 65.36 2.00 1.4277 2 6 3 4 67.67 13.06 1.3845 3 3 4 4 67.72 2.40 1.3837 0 8 2 2 67.77 3.75 1.3827 4 7 0 4 67.78 1.98 1.3825 4 6 2 4 67.87 5.05 1.3810 6 1 2 4 68.36 5.08 1.3723 0 7 3 2 68.63 1.76 1.3674 1 5 4 4 68.85 1.64 1.3637 6 4 0 4 69.23 1.03 1.3571 1 7 3 4 69.32 3.08 1.3556 4 0 4 2 69.39 3.45 1.3544 4 7 1 4 69.81 2.23 1.3473 4 1 4 4 70.31 2.97 1.3388 5 3 3 4 70.40 4.11 1.3374 4 5 3 4 70.45 1.90 1.3365 6 4 1 4 70.55 1.91 1.3349 1 9 0 4 70.71 4.54 1.3323 3 8 1 4 71.13 2.72 1.3255 3 4 4 4 71.81 5.86 1.3145 2 7 3 4 72.70 2.30 1.3006 1 2 5 4 73.71 6.00 1.2853 5 4 3 4 73.80 2.96 1.2840 2 1 5 4 74.14 1.38 1.2789 7 2 0 4 74.14 1.94 1.2789 4 7 2 4 74.26 1.46 1.2771 7 1 1 4 74.27 1.05 1.2771 0 3 5 2 75.08 1.25 1.2652 4 8 0 4 75.31 2.53 1.2619 6 0 3 2 75.43 1.93 1.2603 3 8 2 4 75.70 2.12 1.2564 7 2 1 4 75.71 1.49 1.2563 4 6 3 4 76.48 3.63 1.2455 1 8 3 4 76.52 4.99 1.2450 2 6 4 4 76.82 5.35 1.2408 1 9 2 4 77.03 2.05 1.2380 5 7 1 4 77.31 1.30 1.2341 3 9 0 4 77.99 2.06 1.2252 3 1 5 4 78.00 3.37 1.2250 5 5 3 4 78.07 2.89 1.2241 7 3 1 4 78.43 3.83 1.2194 1 4 5 4 78.48 1.21 1.2187 6 6 0 4 78.85 2.94 1.2140 5 2 4 4 79.40 1.40 1.2069 3 2 5 4 79.44 1.52 1.2064 6 5 2 4 79.83 3.90 1.2015 7 4 0 4 80.02 1.43 1.1991 6 6 1 4 81.16 2.46 1.1850 1 10 1 4 81.23 1.91 1.1842 4 8 2 4 81.27 3.40 1.1837 4 5 4 4 81.82 2.02 1.1772 0 5 5 2 81.83 2.07 1.1770 4 7 3 4 82.84 1.06 1.1652 6 4 3 4 83.09 2.34 1.1624 3 8 3 4 84.05 3.95 1.1515 5 8 1 4 85.00 2.45 1.1411 3 4 5 4 85.09 1.06 1.1401 2 5 5 4 85.89 2.46 1.1315 7 4 2 4 86.00 1.64 1.1304 6 0 4 2 86.07 1.27 1.1297 6 7 1 4 86.17 1.11 1.1285 8 0 1 2 86.32 1.07 1.1270 0 8 4 2 86.46 1.54 1.1255 6 1 4 4 86.85 1.89 1.1215 0 0 6 1 87.13 1.04 1.1186 1 8 4 4 87.70 2.11 1.1129 3 10 1 4 87.88 1.27 1.1110 7 2 3 4 89.17 1.32 1.0982 5 7 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.