La7 Mo7 O30 Goutenoire F, Retoux R, Suard E, Lacorre P Journal of Solid State Chemistry 142 (1999) 228-235 Ab initio determination of the novel perovskite-related structure of La7 Mo7 O30 from powder diffraction _cod_database_code 1000500 _database_code_amcsd 0013956 CELL PARAMETERS: 17.0051 17.0051 6.8607 90.000 90.000 120.000 SPACE GROUP: R-3 X-RAY WAVELENGTH: 1.541838 Cell Volume: 1718.136 Density (g/cm3): 6.157 MAX. ABS. INTENSITY / VOLUME**2: 129.7067017 RIR: 6.859 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.40 5.09 8.5026 1 1 0 6 20.55 4.72 4.3225 2 1 1 6 20.90 13.54 4.2513 2 2 0 6 25.38 4.70 3.5096 1 3 1 6 26.68 1.07 3.3409 0 1 2 6 27.76 39.01 3.2137 1 4 0 6 27.76 60.99 3.2137 4 1 0 6 28.71 8.68 3.1095 2 0 2 6 29.47 2.96 3.0310 3 2 1 6 29.47 2.65 3.0310 5 -2 1 6 30.61 5.41 2.9203 1 2 2 6 30.61 66.99 2.9203 -1 3 2 6 31.57 5.25 2.8342 3 3 0 6 34.13 11.57 2.6268 4 -1 2 6 34.79 1.26 2.5790 -2 6 1 6 35.78 2.04 2.5098 0 4 2 6 36.40 1.11 2.4680 5 1 1 6 36.40 1.00 2.4680 6 -1 1 6 36.61 6.79 2.4545 6 0 0 6 37.36 6.29 2.4071 2 3 2 6 39.40 3.05 2.2869 0 0 3 2 40.36 1.23 2.2347 5 0 2 6 41.80 7.21 2.1613 4 2 2 6 42.35 7.71 2.1344 1 6 1 6 42.53 3.09 2.1256 4 4 0 6 45.07 1.30 2.0114 3 5 1 6 45.88 29.68 1.9780 3 4 2 6 48.45 15.55 1.8790 7 -1 2 6 49.10 1.93 1.8554 3 6 0 6 51.39 1.61 1.7780 0 8 1 6 52.12 17.29 1.7548 -2 8 2 6 52.59 1.20 1.7403 -2 9 1 6 53.92 11.82 1.7005 5 5 0 6 54.87 1.34 1.6732 0 6 3 6 54.87 1.14 1.6732 6 0 3 6 54.97 1.38 1.6705 0 2 4 6 56.11 10.70 1.6391 2 1 4 6 56.22 7.13 1.6363 9 0 0 6 57.20 2.70 1.6106 7 3 1 6 57.20 2.62 1.6106 10 -3 1 6 57.87 3.94 1.5933 9 -2 2 6 58.35 2.74 1.5814 1 3 4 6 59.36 1.42 1.5569 8 -4 3 6 59.36 1.29 1.5569 4 4 3 6 60.54 1.29 1.5294 5 -2 4 6 61.57 1.10 1.5061 6 5 1 6 62.22 1.72 1.4920 3 7 2 6 63.70 1.14 1.4610 -3 11 1 6 63.74 1.21 1.4602 -2 6 4 6 66.85 7.08 1.3996 7 -3 4 6 66.94 2.44 1.3978 10 1 0 6 68.45 5.13 1.3707 8 3 2 6 68.88 4.15 1.3631 1 6 4 6 70.46 1.99 1.3364 2 9 2 6 70.80 1.07 1.3307 0 9 3 6 71.88 5.14 1.3134 6 2 4 6 72.83 1.27 1.2986 2 10 1 6 75.77 1.22 1.2554 -4 13 1 6 75.77 1.40 1.2554 11 1 1 6 76.78 1.55 1.2414 2 7 4 6 80.21 1.38 1.1967 -1 12 2 6 82.11 1.12 1.1737 -3 13 2 6 84.78 1.74 1.1435 0 0 6 2 86.31 2.25 1.1271 -3 11 4 6 87.79 1.48 1.1119 13 -1 2 6 88.20 1.17 1.1078 11 -2 4 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.