Milotaite 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 0014014 CELL PARAMETERS: 6.3240 6.3240 6.3240 90.000 90.000 90.000 SPACE GROUP: P2_13 X-RAY WAVELENGTH: 1.541838 Cell Volume: 252.916 Density (g/cm3): 8.065 MAX. ABS. INTENSITY / VOLUME**2: 172.0482361 RIR: 6.946 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 19.85 5.14 4.4717 1 1 0 12 24.38 9.72 3.6512 1 1 1 4 28.22 48.71 3.1620 2 0 0 6 31.64 5.42 2.8282 2 0 1 12 31.64 94.58 2.8282 2 1 0 12 34.75 76.60 2.5818 2 1 1 12 40.34 30.12 2.2359 2 2 0 12 45.35 1.38 1.9998 3 0 1 12 47.70 93.59 1.9068 3 1 1 12 49.96 11.56 1.8256 2 2 2 4 52.15 25.20 1.7540 3 0 2 12 54.27 16.19 1.6902 3 1 2 12 54.27 23.47 1.6902 3 2 1 12 58.37 3.24 1.5810 4 0 0 6 64.20 2.36 1.4508 3 3 1 12 66.07 4.83 1.4141 4 0 2 12 66.07 4.83 1.4141 4 2 0 12 67.92 17.63 1.3800 4 2 1 12 69.75 8.25 1.3483 3 3 2 12 73.34 8.15 1.2909 4 2 2 12 78.61 21.05 1.2171 5 1 1 12 78.61 5.20 1.2171 3 3 3 4 82.06 3.99 1.1743 5 0 2 12 82.06 11.75 1.1743 4 2 3 12 83.78 3.84 1.1546 5 2 1 12 83.78 5.75 1.1546 5 1 2 12 87.20 20.42 1.1179 4 4 0 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.