NiP1.86Se0.14 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 0014016 CELL PARAMETERS: 5.4790 5.4790 5.4790 90.000 90.000 90.000 SPACE GROUP: Pa3 X-RAY WAVELENGTH: 1.541838 Cell Volume: 164.477 Density (g/cm3): 5.142 MAX. ABS. INTENSITY / VOLUME**2: 50.87754104 RIR: 3.221 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 28.21 47.64 3.1633 1 1 1 8 32.69 95.59 2.7395 2 0 0 6 36.68 51.99 2.4503 2 1 0 12 40.32 42.76 2.2368 2 1 1 24 46.90 51.87 1.9371 2 2 0 12 55.64 100.00 1.6520 3 1 1 24 58.34 15.82 1.5817 2 2 2 8 60.97 14.65 1.5196 3 0 2 12 63.53 14.20 1.4643 3 2 1 24 63.53 5.73 1.4643 3 1 2 24 75.66 9.63 1.2570 3 3 1 24 77.99 6.37 1.2251 4 2 0 12 77.99 6.37 1.2251 4 0 2 12 80.30 7.76 1.1956 4 2 1 24 82.59 3.79 1.1681 3 3 2 24 87.15 11.22 1.1184 4 2 2 24 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.