NiNb3S6 Anzenhofer K, van den Berg J M, Cossee P, Helle J N Journal of Physics and Chemistry of Solids 31 (1970) 1057-1067 The crystal structures and magnetic susceptibilities of MnNb3S6, FeNb3S6, CoNb3S6 and NiNb3S6 _database_code_amcsd 0013197 CELL PARAMETERS: 5.7680 5.7680 11.8860 90.000 90.000 120.000 SPACE GROUP: P6_322 X-RAY WAVELENGTH: 1.541838 Cell Volume: 342.466 Density (g/cm3): 5.137 MAX. ABS. INTENSITY / VOLUME**2: 86.60817977 RIR: 5.490 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.91 61.09 5.9430 0 0 2 2 17.76 2.94 4.9952 1 0 0 6 19.27 13.80 4.6051 1 0 1 12 23.26 3.10 3.8239 1 0 2 12 28.76 6.79 3.1041 1 0 3 12 30.07 5.82 2.9715 0 0 4 2 31.01 44.08 2.8840 1 1 0 6 31.93 17.90 2.8027 1 1 1 12 34.57 55.06 2.5946 1 1 2 12 35.14 1.09 2.5538 1 0 4 12 36.77 2.49 2.4442 2 0 1 12 38.61 12.91 2.3317 1 1 3 12 42.10 1.11 2.1465 1 0 5 12 42.80 1.97 2.1128 2 0 3 12 43.74 100.00 2.0695 1 1 4 12 45.80 5.29 1.9810 0 0 6 2 48.84 1.89 1.8646 2 1 1 12 49.70 2.71 1.8344 1 1 5 12 53.78 1.81 1.7044 2 1 3 12 55.16 33.81 1.6651 3 0 0 6 56.34 9.39 1.6329 1 1 6 12 57.48 9.47 1.6033 3 0 2 12 62.51 7.01 1.4857 0 0 8 2 63.59 2.80 1.4632 1 1 7 12 64.11 3.93 1.4526 3 0 4 12 64.64 4.52 1.4420 2 2 0 6 65.17 1.56 1.4315 2 2 1 12 66.75 7.04 1.4013 2 2 2 12 69.35 1.69 1.3550 2 2 3 12 71.42 6.57 1.3208 1 1 8 12 72.92 17.53 1.2973 2 2 4 12 74.43 6.58 1.2746 3 0 6 12 82.79 2.90 1.1658 2 2 6 12 88.12 14.22 1.1086 3 0 8 12 89.10 3.87 1.0989 1 1 10 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.