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 1000501 _database_code_amcsd 0013957 CELL PARAMETERS: 17.0064 17.0064 6.8613 90.000 90.000 120.000 SPACE GROUP: R-3 X-RAY WAVELENGTH: 1.541838 Cell Volume: 1718.547 Density (g/cm3): 6.156 MAX. ABS. INTENSITY / VOLUME**2: 140.4838933 RIR: 7.431 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.40 6.67 8.5032 1 1 0 6 17.67 1.99 5.0200 0 2 1 6 20.89 11.90 4.2516 2 2 0 6 26.68 1.47 3.3412 0 1 2 6 27.76 21.19 3.2139 1 4 0 6 27.76 78.81 3.2139 4 1 0 6 28.71 11.29 3.1097 2 0 2 6 29.47 2.34 3.0312 5 -2 1 6 29.47 2.02 3.0312 3 2 1 6 30.61 5.84 2.9206 1 2 2 6 30.61 51.81 2.9206 -1 3 2 6 31.57 3.66 2.8344 3 3 0 6 34.13 18.15 2.6271 4 -1 2 6 35.77 1.41 2.5100 0 4 2 6 36.61 8.94 2.4547 6 0 0 6 37.36 5.43 2.4073 2 3 2 6 39.40 3.14 2.2871 0 0 3 2 39.47 3.02 2.2833 7 -3 1 6 40.36 1.29 2.2348 5 0 2 6 41.79 2.39 2.1614 4 2 2 6 42.34 5.90 2.1345 1 6 1 6 45.87 35.28 1.9782 3 4 2 6 46.39 1.16 1.9575 6 2 1 6 46.56 1.53 1.9508 1 7 0 6 48.44 13.42 1.8791 7 -1 2 6 49.10 5.93 1.8555 3 6 0 6 52.12 16.53 1.7549 -2 8 2 6 53.91 10.17 1.7006 5 5 0 6 54.96 1.77 1.6706 0 2 4 6 56.11 8.15 1.6393 2 1 4 6 56.21 3.55 1.6364 9 0 0 6 56.75 3.24 1.6222 8 0 2 6 57.19 1.23 1.6107 7 3 1 6 57.87 3.68 1.5934 9 -2 2 6 58.35 3.66 1.5815 1 3 4 6 60.53 1.25 1.5295 5 -2 4 6 66.84 8.88 1.3997 7 -3 4 6 66.94 4.78 1.3979 10 1 0 6 68.44 3.29 1.3708 8 3 2 6 68.88 3.67 1.3632 1 6 4 6 70.45 4.64 1.3365 2 9 2 6 71.88 5.10 1.3135 6 2 4 6 72.44 1.90 1.3047 12 -5 2 6 72.44 2.03 1.3047 7 5 2 6 75.80 1.08 1.2550 0 8 4 6 76.77 1.43 1.2415 2 7 4 6 77.70 1.06 1.2290 10 3 1 6 81.65 1.11 1.1792 4 10 0 6 82.11 2.66 1.1738 -3 13 2 6 84.78 1.77 1.1436 0 0 6 2 86.30 1.44 1.1272 -3 11 4 6 87.78 2.15 1.1120 13 -1 2 6 88.19 2.33 1.1079 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.