Cu O4 W Klein S, Weitzel H Journal of Applied Crystallography 8 (1975) 54-59 Pernod - ein Programm zur Verfeinerung von Kristall-Strukturparametern aus Neutronenbeugungspulverdiagrammen _cod_database_code 1008036 _database_code_amcsd 0015983 CELL PARAMETERS: 4.6964 5.8287 4.8736 91.630 92.440 82.790 SPACE GROUP: P-1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 132.199 Density (g/cm3): 7.821 MAX. ABS. INTENSITY / VOLUME**2: 85.83947322 RIR: 3.574 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.33 20.96 5.7810 0 1 0 2 18.22 1.05 4.8679 0 0 1 2 19.06 70.09 4.6557 1 0 0 2 22.99 41.90 3.8689 1 1 0 2 23.62 28.79 3.7671 0 -1 1 2 24.17 41.66 3.6816 0 1 1 2 26.03 50.17 3.4238 -1 1 0 2 27.02 5.13 3.3004 1 0 1 2 28.77 100.00 3.1026 -1 -1 1 2 30.19 88.05 2.9600 1 1 1 2 30.94 28.12 2.8905 0 2 0 2 31.72 67.57 2.8206 -1 1 1 2 32.19 57.71 2.7808 1 -1 1 2 34.42 9.49 2.6053 1 2 0 2 35.76 42.64 2.5112 0 -2 1 2 36.52 26.38 2.4603 0 2 1 2 36.93 42.65 2.4339 0 0 2 2 38.66 2.86 2.3292 -1 2 0 2 38.68 29.85 2.3278 2 0 0 2 39.85 5.01 2.2622 0 -1 2 2 39.95 8.65 2.2570 1 2 1 2 41.17 17.84 2.1927 -1 0 2 2 42.59 1.92 2.1229 1 0 2 2 42.93 9.69 2.1065 -1 -1 2 2 43.07 17.28 2.1004 1 -2 1 2 43.35 5.49 2.0871 -2 -1 1 2 43.69 4.22 2.0718 -2 1 0 2 43.76 1.41 2.0686 2 0 1 2 44.95 3.15 2.0167 1 1 2 2 45.03 9.12 2.0131 2 1 1 2 45.39 5.23 1.9981 -1 1 2 2 46.08 11.79 1.9697 1 -1 2 2 46.97 12.75 1.9344 2 2 0 2 47.16 5.21 1.9270 0 3 0 2 47.22 3.50 1.9249 -2 1 1 2 48.19 2.26 1.8883 2 -1 1 2 48.32 6.11 1.8836 0 -2 2 2 48.85 25.45 1.8644 1 3 0 2 49.52 10.00 1.8408 0 2 2 2 49.88 16.63 1.8282 -2 -2 1 2 50.18 1.05 1.8180 -1 -2 2 2 51.40 1.19 1.7776 0 3 1 2 51.68 15.66 1.7686 2 2 1 2 52.55 5.80 1.7416 1 2 2 2 53.38 25.69 1.7163 -2 0 2 2 53.53 4.01 1.7119 -2 2 0 2 53.69 20.48 1.7070 -1 3 0 2 54.07 1.64 1.6962 -2 -1 2 2 54.50 2.84 1.6836 -1 2 2 2 55.70 18.52 1.6502 2 0 2 2 56.73 15.57 1.6226 -2 2 1 2 57.32 15.85 1.6074 2 -2 1 2 58.23 3.34 1.5844 2 3 0 2 59.34 3.25 1.5573 2 -1 2 2 59.53 4.17 1.5529 0 1 3 2 59.57 2.15 1.5519 3 0 0 2 59.60 4.22 1.5513 -2 -2 2 2 60.59 3.11 1.5283 0 -3 2 2 60.83 9.50 1.5228 -1 -1 3 2 61.23 1.76 1.5138 1 0 3 2 61.48 11.05 1.5082 -1 -3 2 2 62.09 10.11 1.4948 -3 -1 1 2 62.13 2.02 1.4940 0 3 2 2 62.47 1.44 1.4867 2 3 1 2 62.79 5.67 1.4800 2 2 2 2 63.02 10.38 1.4749 -1 1 3 2 63.20 8.94 1.4712 1 1 3 2 63.65 1.18 1.4620 3 0 1 2 63.85 5.33 1.4578 1 -1 3 2 63.94 10.38 1.4561 3 1 1 2 64.03 3.75 1.4542 -3 1 0 2 64.07 9.43 1.4534 1 3 2 2 64.47 3.45 1.4453 0 4 0 2 64.52 2.71 1.4443 3 2 0 2 65.29 11.63 1.4292 0 -2 3 2 66.27 2.55 1.4103 -2 2 2 2 66.54 6.56 1.4053 -3 1 1 2 66.57 2.78 1.4047 -1 -2 3 2 66.65 1.73 1.4032 -3 -2 1 2 66.73 9.68 1.4017 1 -3 2 2 66.76 2.16 1.4012 -2 3 0 2 66.77 7.21 1.4011 0 2 3 2 67.13 7.33 1.3944 0 -4 1 2 67.18 8.24 1.3935 -1 3 2 2 67.55 2.24 1.3868 -1 -4 1 2 67.83 4.58 1.3817 3 -1 1 2 68.11 7.60 1.3768 0 4 1 2 69.03 2.33 1.3606 1 4 1 2 69.26 1.67 1.3566 -2 -3 2 2 69.74 1.44 1.3484 -2 -1 3 2 70.62 1.34 1.3338 -3 -1 2 2 70.70 1.06 1.3325 -3 0 2 2 70.80 1.78 1.3308 1 -2 3 2 73.11 1.69 1.2943 -2 1 3 2 73.42 5.54 1.2896 3 3 0 2 73.44 2.21 1.2893 2 1 3 2 73.68 2.02 1.2858 3 0 2 2 73.85 1.84 1.2833 -1 4 1 2 74.49 3.33 1.2738 -2 -2 3 2 74.60 5.94 1.2721 -2 -4 1 2 75.04 2.46 1.2657 -3 1 2 2 75.14 2.17 1.2644 -3 2 1 2 76.51 4.93 1.2451 2 4 1 2 77.50 2.93 1.2317 3 -1 2 2 78.54 1.48 1.2179 -2 3 2 2 78.61 4.14 1.2170 0 0 4 2 78.65 2.09 1.2166 3 2 2 2 79.09 1.01 1.2108 2 -3 2 2 80.23 1.66 1.1965 0 -1 4 2 81.03 2.13 1.1867 -2 2 3 2 81.81 1.47 1.1773 -1 -1 4 2 82.46 1.17 1.1696 -2 -4 2 2 82.53 2.71 1.1689 2 -2 3 2 82.76 1.44 1.1662 1 0 4 2 82.96 5.42 1.1639 4 0 0 2 83.04 5.09 1.1630 -3 -3 2 2 83.63 1.81 1.1563 1 5 0 2 84.30 1.52 1.1488 -4 -1 1 2 84.52 3.19 1.1463 -3 -1 3 2 84.98 3.95 1.1413 -3 3 0 2 84.99 2.15 1.1413 1 -1 4 2 85.71 2.87 1.1334 -1 -5 1 2 85.76 3.16 1.1329 -2 4 1 2 85.81 2.76 1.1324 2 -4 1 2 86.09 2.34 1.1295 4 2 0 2 86.42 1.19 1.1259 4 1 1 2 87.24 2.59 1.1174 3 3 2 2 87.32 1.65 1.1167 1 5 1 2 87.74 1.09 1.1124 -3 -4 1 2 87.74 1.86 1.1124 0 2 4 2 87.79 1.79 1.1119 -4 -2 1 2 88.13 1.34 1.1085 2 3 3 2 88.98 1.06 1.1001 3 0 3 2 88.99 2.38 1.1000 -3 1 3 2 89.37 3.76 1.0963 -2 0 4 2 89.46 3.00 1.0954 3 1 3 2 89.82 2.53 1.0919 0 -4 3 2 89.92 1.15 1.0910 2 5 0 2 89.94 1.14 1.0908 -1 5 0 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.