NiPS 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) _database_code_amcsd 0014007 CELL PARAMETERS: 5.5386 5.5386 5.5386 90.000 90.000 90.000 SPACE GROUP: P2_13 X-RAY WAVELENGTH: 1.541838 Cell Volume: 169.903 Density (g/cm3): 4.758 MAX. ABS. INTENSITY / VOLUME**2: 52.52375018 RIR: 3.594 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 27.90 45.19 3.1977 1 1 1 4 32.33 100.00 2.7693 2 0 0 6 36.27 40.40 2.4769 2 1 0 12 39.87 34.77 2.2611 2 1 1 12 46.37 53.48 1.9582 2 2 0 12 54.99 94.97 1.6700 3 1 1 12 57.65 16.60 1.5989 2 2 2 4 60.25 13.56 1.5361 3 0 2 12 62.77 3.51 1.4803 3 1 2 12 62.77 13.83 1.4803 3 2 1 12 74.70 13.14 1.2706 3 3 1 12 76.99 6.58 1.2385 4 2 0 12 76.99 6.58 1.2385 4 0 2 12 79.26 5.94 1.2086 4 2 1 12 81.52 2.85 1.1808 3 3 2 12 85.98 12.54 1.1306 4 2 2 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.