Cu In P2 Se6 Bourdon X, Maisonneuve V, Cajipe V, Payen C, Fischer J Journal of Alloys and Compounds 283 (1999) 122-127 Copper sublattice ordering in layered Cu M P2 Se6 (M = In, Cr) _cod_database_code 1004009 _database_code_amcsd 0012822 CELL PARAMETERS: 6.4024 6.4024 13.3580 90.000 90.000 120.000 SPACE GROUP: P-3c1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 474.196 Density (g/cm3): 5.178 MAX. ABS. INTENSITY / VOLUME**2: 61.53532265 RIR: 3.869 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.26 46.10 6.6790 0 0 2 2 15.98 2.92 5.5446 1 0 0 6 20.82 34.40 4.2662 1 0 2 6 26.69 34.02 3.3395 0 0 4 2 27.87 1.01 3.2012 1 1 0 6 28.68 100.00 3.1131 1 1 1 12 30.98 57.48 2.8868 1 1 2 12 31.27 1.38 2.8607 0 1 4 6 31.27 19.07 2.8607 1 0 4 6 34.51 78.69 2.5992 1 1 3 12 35.05 6.91 2.5605 0 2 2 6 38.97 62.48 2.3109 1 1 4 12 40.52 2.50 2.2263 0 0 6 2 42.37 7.62 2.1331 0 2 4 6 43.82 4.95 2.0660 0 1 6 6 43.82 2.71 2.0660 1 0 6 6 44.15 18.91 2.0511 1 1 5 12 45.36 7.10 1.9996 2 1 2 12 49.31 69.77 1.8482 3 0 0 6 51.29 3.54 1.7813 0 3 2 6 51.29 3.54 1.7813 3 0 2 6 51.48 8.24 1.7751 2 1 4 12 52.73 1.93 1.7359 0 2 6 6 52.73 2.29 1.7359 2 0 6 6 54.99 10.23 1.6697 0 0 8 2 56.11 20.68 1.6391 1 1 7 12 56.94 10.01 1.6171 0 3 4 6 56.94 10.01 1.6171 3 0 4 6 57.66 2.69 1.5988 0 1 8 6 58.04 11.23 1.5892 2 2 1 12 59.38 7.20 1.5565 2 2 2 12 60.69 3.16 1.5260 1 2 6 12 60.69 2.17 1.5260 2 1 6 12 61.57 12.17 1.5062 2 2 3 12 61.92 3.17 1.4986 1 3 2 12 64.57 11.56 1.4434 2 2 4 12 65.23 1.95 1.4303 2 0 8 6 65.66 1.45 1.4221 0 3 6 6 65.66 1.45 1.4221 3 0 6 6 67.00 3.51 1.3968 1 3 4 12 68.31 4.32 1.3730 2 2 5 12 69.22 1.21 1.3572 4 0 2 6 69.85 2.33 1.3465 1 1 9 12 72.36 2.68 1.3059 1 2 8 12 74.05 1.29 1.2803 4 0 4 6 75.07 1.88 1.2653 3 1 6 12 76.19 1.07 1.2496 3 2 2 12 76.96 9.53 1.2390 0 3 8 6 76.96 9.53 1.2390 3 0 8 6 77.42 5.89 1.2328 1 1 10 12 77.90 6.70 1.2263 2 2 7 12 79.55 3.82 1.2050 1 4 1 12 79.55 3.82 1.2050 4 1 1 12 80.71 2.48 1.1906 1 4 2 12 80.71 2.48 1.1906 4 1 2 12 80.86 1.90 1.1887 3 2 4 12 82.64 4.52 1.1676 1 4 3 12 82.64 4.52 1.1676 4 1 3 12 85.33 4.50 1.1376 1 4 4 12 85.33 4.50 1.1376 4 1 4 12 85.53 5.84 1.1354 1 1 11 12 85.93 1.50 1.1312 3 1 8 12 88.77 1.88 1.1022 1 4 5 12 88.77 1.88 1.1022 4 1 5 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.