Jolliffeite 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 0014010 CELL PARAMETERS: 5.8469 5.8469 5.8469 90.000 90.000 90.000 SPACE GROUP: P2_13 X-RAY WAVELENGTH: 1.541838 Cell Volume: 199.884 Density (g/cm3): 7.063 MAX. ABS. INTENSITY / VOLUME**2: 129.1933785 RIR: 5.956 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 30.58 31.78 2.9234 2 0 0 6 34.29 99.98 2.6148 2 1 0 12 37.68 80.26 2.3870 2 1 1 12 43.79 17.96 2.0672 2 2 0 12 51.86 69.22 1.7629 3 1 1 12 54.35 5.85 1.6879 2 2 2 4 56.77 26.41 1.6216 3 0 2 12 59.12 24.35 1.5626 3 2 1 12 59.12 16.19 1.5626 3 1 2 12 63.66 5.62 1.4617 4 0 0 6 72.27 2.47 1.3074 4 0 2 12 72.27 2.47 1.3074 4 2 0 12 74.35 18.19 1.2759 4 2 1 12 76.40 8.71 1.2466 3 3 2 12 80.47 4.53 1.1935 4 2 2 12 86.49 3.68 1.1252 3 3 3 4 86.49 16.23 1.1252 5 1 1 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.