Gersdorffite 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 0014008 CELL PARAMETERS: 5.6888 5.6888 5.6888 90.000 90.000 90.000 SPACE GROUP: P2_13 X-RAY WAVELENGTH: 1.541838 Cell Volume: 184.103 Density (g/cm3): 5.977 MAX. ABS. INTENSITY / VOLUME**2: 81.66178981 RIR: 4.449 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 22.10 17.68 4.0226 1 1 0 12 27.15 11.97 3.2844 1 1 1 4 31.45 59.23 2.8444 2 0 0 6 35.28 80.38 2.5441 2 1 0 12 35.28 19.62 2.5441 2 0 1 12 38.77 67.36 2.3224 2 1 1 12 45.08 31.29 2.0113 2 2 0 12 47.98 1.05 1.8963 2 2 1 12 50.75 2.46 1.7990 3 0 1 12 50.75 1.68 1.7990 3 1 0 12 53.42 86.57 1.7152 3 1 1 12 56.00 14.85 1.6422 2 2 2 4 58.50 23.62 1.5778 3 0 2 12 58.50 1.91 1.5778 3 2 0 12 60.94 23.35 1.5204 3 2 1 12 60.94 10.57 1.5204 3 1 2 12 65.65 2.13 1.4222 4 0 0 6 70.19 1.44 1.3409 3 3 0 12 70.19 2.49 1.3409 4 1 1 12 72.41 4.48 1.3051 3 3 1 12 74.61 3.80 1.2721 4 0 2 12 74.61 3.80 1.2721 4 2 0 12 76.78 2.02 1.2414 4 1 2 12 76.78 13.98 1.2414 4 2 1 12 78.93 6.71 1.2129 3 3 2 12 83.19 7.59 1.1612 4 2 2 12 87.42 1.82 1.1157 4 3 1 12 89.52 4.34 1.0948 3 3 3 4 89.52 22.50 1.0948 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.