Cr Cu 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 1004008 _database_code_amcsd 0012821 CELL PARAMETERS: 6.2210 10.7702 6.9350 90.000 107.090 90.000 SPACE GROUP: C2 X-RAY WAVELENGTH: 1.541838 Cell Volume: 444.138 Density (g/cm3): 4.869 MAX. ABS. INTENSITY / VOLUME**2: 62.81261992 RIR: 4.200 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.36 33.34 6.6288 0 0 1 2 24.31 1.23 3.6620 1 1 1 2 26.90 44.64 3.3144 0 0 2 2 27.95 1.47 3.1926 -1 1 2 2 29.05 14.22 3.0734 1 3 0 2 29.08 7.49 3.0706 -2 0 1 2 30.06 19.28 2.9732 2 0 0 2 30.14 37.38 2.9654 -1 3 1 2 31.70 1.66 2.8226 0 2 2 2 33.96 100.00 2.6395 1 3 1 2 34.08 49.76 2.6305 -2 0 2 2 35.66 2.10 2.5177 1 1 2 2 36.58 1.18 2.4566 2 0 1 2 36.74 2.53 2.4465 -1 3 2 2 40.02 1.57 2.2531 -1 1 3 2 40.35 1.28 2.2350 2 2 1 2 43.29 2.27 2.0898 0 4 2 2 44.31 1.25 2.0442 0 2 3 2 46.57 1.72 1.9501 -2 2 3 2 46.65 13.59 1.9470 2 0 2 2 46.85 26.04 1.9391 -1 3 3 2 48.28 1.27 1.8849 1 5 1 2 48.74 1.15 1.8684 1 1 3 2 49.80 1.41 1.8310 2 2 2 2 50.85 31.40 1.7956 -3 3 1 2 50.87 15.23 1.7950 0 6 0 1 52.75 1.25 1.7352 3 3 0 2 52.84 1.17 1.7326 0 6 1 2 52.89 1.08 1.7311 -3 3 2 2 54.72 11.91 1.6774 1 3 3 2 54.93 5.95 1.6714 -2 0 4 2 55.45 7.61 1.6572 0 0 4 2 55.63 1.02 1.6520 -2 4 3 2 58.33 7.70 1.5819 3 3 1 2 58.47 7.26 1.5784 0 6 2 2 58.58 7.50 1.5757 -3 3 3 2 58.67 1.46 1.5735 -1 5 3 2 59.67 1.20 1.5497 -2 6 1 2 60.22 3.96 1.5367 2 6 0 2 60.28 2.11 1.5353 -4 0 2 2 62.47 6.17 1.4866 4 0 0 2 62.66 11.62 1.4827 -2 6 2 2 71.49 5.26 1.3197 2 6 2 2 71.77 2.64 1.3153 -4 0 4 2 73.09 1.67 1.2947 2 0 4 2 73.35 3.23 1.2907 -1 3 5 2 77.75 1.68 1.2283 4 0 2 2 78.13 3.11 1.2232 -2 6 4 2 78.33 4.23 1.2207 3 3 3 2 78.56 3.94 1.2176 0 6 4 2 78.77 3.94 1.2150 -3 3 5 2 82.59 1.36 1.1681 -5 3 1 2 82.70 1.15 1.1669 -1 9 1 2 82.71 1.26 1.1667 -4 6 2 2 83.73 4.27 1.1552 1 3 5 2 84.01 2.08 1.1520 -2 0 6 2 84.65 3.78 1.1449 4 6 0 2 84.74 3.56 1.1439 1 9 1 2 84.85 3.85 1.1427 -5 3 3 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.