Kalungaite Foecker A J, Jeitschko W Journal of Solid State Chemistry 162 (2001) 69-78 The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) Locality: synthetic _database_code_amcsd 0014013 CELL PARAMETERS: 6.0948 6.0948 6.0948 90.000 90.000 90.000 SPACE GROUP: P2_13 X-RAY WAVELENGTH: 1.541838 Cell Volume: 226.401 Density (g/cm3): 7.636 MAX. ABS. INTENSITY / VOLUME**2: 140.9136225 RIR: 6.009 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 25.31 17.81 3.5188 1 1 1 4 29.31 78.82 3.0474 2 0 0 6 32.86 72.43 2.7257 2 1 0 12 36.10 63.36 2.4882 2 1 1 12 41.93 42.07 2.1548 2 2 0 12 44.60 1.42 2.0316 2 2 1 12 49.61 100.00 1.8377 3 1 1 12 51.97 13.45 1.7594 2 2 2 4 54.27 24.65 1.6904 3 0 2 12 56.49 25.23 1.6289 3 2 1 12 56.49 9.19 1.6289 3 1 2 12 60.79 1.11 1.5237 4 0 0 6 66.92 7.04 1.3982 3 3 1 12 68.90 5.17 1.3628 4 0 2 12 68.90 5.17 1.3628 4 2 0 12 70.85 13.11 1.3300 4 2 1 12 72.78 6.16 1.2994 3 3 2 12 76.58 10.44 1.2441 4 2 2 12 82.18 27.20 1.1729 5 1 1 12 82.18 4.78 1.1729 3 3 3 4 85.87 1.91 1.1318 5 0 2 12 85.87 11.57 1.1318 4 2 3 12 87.70 6.02 1.1128 5 1 2 12 87.70 1.86 1.1128 5 2 1 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.