CaCuP2O7 Riou D, Goreaud M Acta Crystallographica C46 (1990) 1191-1193 CaCuP2O7: a structure closely related to alpha-Ca2P2O7 _database_code_amcsd 0010150 CELL PARAMETERS: 5.2104 8.0574 12.3440 90.000 91.356 90.000 SPACE GROUP: P2_1/n X-RAY WAVELENGTH: 1.541838 Cell Volume: 518.084 Density (g/cm3): 3.558 MAX. ABS. INTENSITY / VOLUME**2: 11.72364019 RIR: 1.073 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.12 47.22 6.7467 0 1 1 4 14.35 1.35 6.1703 0 0 2 2 18.11 22.22 4.8988 0 1 2 4 18.33 31.61 4.8402 -1 0 1 2 18.65 27.29 4.7588 1 0 1 2 20.30 5.91 4.3744 1 1 0 4 22.06 10.62 4.0287 0 2 0 2 23.23 11.73 3.8298 0 2 1 4 24.29 10.34 3.6637 0 1 3 4 25.19 1.15 3.5356 1 1 2 4 26.42 13.16 3.3733 0 2 2 4 27.31 100.00 3.2661 -1 0 3 2 27.95 17.75 3.1917 1 0 3 2 28.00 56.12 3.1868 1 2 0 4 28.83 5.75 3.0964 -1 2 1 4 29.04 29.40 3.0748 1 2 1 4 29.51 15.19 3.0269 -1 1 3 4 30.12 52.31 2.9674 1 1 3 4 31.04 2.45 2.8812 0 1 4 4 31.07 21.45 2.8782 0 2 3 4 31.79 15.76 2.8149 1 2 2 4 34.17 58.97 2.6244 0 3 1 4 34.43 57.96 2.6045 2 0 0 2 35.26 22.53 2.5451 -1 1 4 4 35.38 2.82 2.5371 -1 2 3 4 35.95 2.17 2.4979 1 1 4 4 36.25 5.62 2.4782 2 1 0 4 36.69 4.70 2.4494 0 2 4 4 36.83 10.19 2.4403 -2 1 1 4 37.15 3.18 2.4201 -2 0 2 2 37.68 6.23 2.3872 1 3 0 4 38.13 17.43 2.3599 0 1 5 4 38.85 8.00 2.3178 -2 1 2 4 39.49 2.27 2.2820 2 1 2 4 40.05 1.09 2.2511 -1 0 5 2 40.10 4.41 2.2489 0 3 3 4 40.36 22.30 2.2345 -1 3 2 4 40.83 13.79 2.2103 1 0 5 2 41.01 1.22 2.2007 1 2 4 4 41.28 4.45 2.1872 2 2 0 4 41.80 1.13 2.1610 -2 2 1 4 42.14 1.20 2.1442 -2 1 3 4 42.41 4.18 2.1315 1 1 5 4 42.98 1.54 2.1046 0 2 5 4 43.03 4.45 2.1019 2 1 3 4 45.00 9.78 2.0143 0 4 0 2 45.52 34.00 1.9929 0 1 6 4 45.63 5.91 1.9880 0 4 1 4 46.14 9.63 1.9673 2 0 4 2 46.20 1.50 1.9651 -1 2 5 4 46.64 32.67 1.9473 -2 2 3 4 47.47 9.49 1.9155 2 2 3 4 47.58 3.54 1.9112 2 1 4 4 47.93 4.14 1.8980 -1 3 4 4 48.54 1.58 1.8757 -1 1 6 4 49.11 2.93 1.8550 1 4 1 4 49.16 12.52 1.8533 -2 3 1 4 49.33 11.24 1.8472 1 1 6 4 49.43 3.97 1.8440 2 3 1 4 49.78 1.01 1.8318 0 2 6 4 50.45 6.56 1.8091 0 4 3 4 50.67 1.43 1.8016 -1 4 2 4 50.68 1.91 1.8013 -2 2 4 4 50.78 1.02 1.7979 -2 3 2 4 50.93 5.60 1.7930 1 4 2 4 51.68 1.61 1.7688 -2 1 5 4 51.71 1.35 1.7678 2 2 4 4 52.61 4.78 1.7396 -1 2 6 4 53.36 1.75 1.7168 1 2 6 4 53.44 6.11 1.7145 -1 4 3 4 53.82 5.95 1.7035 1 4 3 4 54.03 5.35 1.6974 3 1 0 4 54.23 10.92 1.6914 2 3 3 4 54.40 2.45 1.6867 0 4 4 4 56.34 2.28 1.6330 -2 0 6 2 56.79 2.42 1.6210 2 2 5 4 57.02 4.38 1.6151 0 2 7 4 57.09 8.97 1.6134 -3 0 3 2 57.19 1.35 1.6108 -1 4 4 4 57.59 3.52 1.6005 -2 1 6 4 57.77 1.25 1.5959 2 0 6 2 57.83 3.18 1.5945 3 2 0 4 57.87 1.86 1.5934 2 4 0 4 58.28 2.37 1.5832 -2 4 1 4 58.53 2.70 1.5770 3 2 1 4 58.96 1.76 1.5666 -1 3 6 4 59.00 7.78 1.5655 2 1 6 4 59.21 1.36 1.5606 0 4 5 4 59.27 7.37 1.5592 0 5 2 4 59.38 11.05 1.5564 3 1 3 4 59.66 9.83 1.5499 1 3 6 4 59.73 2.27 1.5482 -2 4 2 4 59.97 2.02 1.5426 0 0 8 2 60.26 4.01 1.5357 3 2 2 4 60.56 6.88 1.5290 -1 5 1 4 60.67 1.79 1.5263 1 5 1 4 61.25 1.62 1.5134 -2 2 6 4 61.73 1.45 1.5027 -2 3 5 4 61.77 4.86 1.5019 -3 1 4 4 61.83 2.35 1.5005 0 5 3 4 61.96 2.70 1.4977 -3 2 3 4 62.03 1.11 1.4962 -1 5 2 4 62.17 2.43 1.4931 -2 4 3 4 62.26 3.35 1.4913 1 5 2 4 62.37 1.13 1.4888 1 4 5 4 63.55 3.79 1.4639 -1 1 8 4 63.84 2.62 1.4581 3 3 0 4 64.13 2.77 1.4521 -2 1 7 4 64.48 2.03 1.4451 -1 5 3 4 64.71 1.83 1.4406 0 2 8 4 64.78 4.08 1.4391 0 4 6 4 64.81 3.75 1.4385 1 5 3 4 65.48 3.72 1.4254 -3 3 2 4 66.24 1.10 1.4108 1 3 7 4 66.43 3.81 1.4074 2 4 4 4 66.58 4.89 1.4045 3 0 5 2 66.60 2.93 1.4041 3 2 4 4 67.02 1.40 1.3964 -1 2 8 4 67.20 3.99 1.3931 -1 4 6 4 67.58 1.43 1.3861 -2 2 7 4 67.85 1.58 1.3813 1 4 6 4 69.05 1.63 1.3601 2 5 1 4 69.54 5.58 1.3517 0 1 9 4 69.69 2.24 1.3493 0 5 5 4 70.07 2.71 1.3429 0 6 0 2 70.16 3.40 1.3413 -2 5 2 4 70.59 1.49 1.3343 2 5 2 4 70.94 2.50 1.3286 -3 3 4 4 71.06 3.24 1.3266 0 4 7 4 71.28 2.18 1.3230 -2 1 8 4 71.73 2.76 1.3159 -1 1 9 4 71.87 1.00 1.3137 2 0 8 2 72.08 1.77 1.3102 -3 4 1 4 72.21 2.06 1.3083 3 3 4 4 72.60 1.37 1.3022 4 0 0 2 72.72 1.12 1.3004 1 6 0 4 73.05 1.25 1.2953 2 5 3 4 73.10 1.76 1.2945 3 1 6 4 73.33 3.33 1.2911 -1 4 7 4 73.69 2.86 1.2856 4 1 0 4 73.96 2.77 1.2816 3 4 2 4 74.06 2.25 1.2801 1 4 7 4 74.48 2.09 1.2739 -1 6 2 4 74.50 2.46 1.2737 -3 2 6 4 74.69 1.64 1.2709 1 6 2 4 74.85 2.96 1.2685 -2 4 6 4 74.85 2.99 1.2685 0 5 6 4 74.88 1.06 1.2681 4 0 2 2 75.50 2.15 1.2593 -3 4 3 4 76.02 1.61 1.2520 -3 0 7 2 76.73 1.10 1.2420 -1 6 3 4 77.23 1.94 1.2353 -4 1 3 4 77.61 3.33 1.2302 4 2 1 4 78.02 1.18 1.2247 0 4 8 4 78.29 3.86 1.2212 0 3 9 4 79.05 4.16 1.2114 -2 1 9 4 80.38 1.12 1.1946 -1 3 9 4 80.44 2.64 1.1939 -4 2 3 4 80.46 2.13 1.1936 2 6 0 4 80.61 1.02 1.1918 2 5 5 4 80.88 3.78 1.1885 2 1 9 4 81.71 2.36 1.1785 3 3 6 4 83.60 2.32 1.1567 3 5 2 4 84.08 1.23 1.1512 -4 1 5 4 84.22 1.32 1.1496 -2 6 3 4 84.40 1.60 1.1477 1 6 5 4 85.67 3.54 1.1339 2 5 6 4 85.99 4.60 1.1305 3 5 3 4 86.93 4.53 1.1207 4 3 3 4 87.27 1.16 1.1171 -3 4 6 4 87.51 1.84 1.1148 -2 3 9 4 87.76 1.05 1.1122 -4 0 6 2 88.66 1.20 1.1032 -4 3 4 4 88.78 1.14 1.1021 -1 6 6 4 89.31 1.24 1.0969 2 3 9 4 89.66 1.51 1.0935 -1 5 8 4 89.89 2.03 1.0912 -4 4 1 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.