K0.75MoNbP3O12 Leclaire A, Borel M M, Grandin A, Raveau B Acta Crystallographica C46 (1990) 1381-1383 Non-stoichiometry in the KMo2P3O12-tunnel structure: the oxide K0.75MoNbP3O12 _database_code_amcsd 0010168 CELL PARAMETERS: 8.8518 9.1453 12.5174 90.000 90.000 90.000 SPACE GROUP: Pbcm X-RAY WAVELENGTH: 1.541838 Cell Volume: 1013.313 Density (g/cm3): 3.297 MAX. ABS. INTENSITY / VOLUME**2: 20.49630787 RIR: 2.024 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.99 3.22 8.8518 1 0 0 2 13.92 19.64 6.3604 1 1 0 4 14.15 27.04 6.2587 0 0 2 2 15.63 90.76 5.6704 1 1 1 8 17.35 12.33 5.1103 1 0 2 4 19.41 31.35 4.5726 0 2 0 2 19.90 1.18 4.4611 1 1 2 8 20.06 35.03 4.4259 2 0 0 2 21.88 5.31 4.0626 1 2 0 4 22.32 29.10 3.9839 2 1 0 4 23.02 25.97 3.8642 1 2 1 8 23.43 8.39 3.7963 2 1 1 8 25.53 100.00 3.4888 1 1 3 8 26.15 5.53 3.4076 1 2 2 8 28.06 76.11 3.1802 2 2 0 4 28.52 25.72 3.1293 0 0 4 2 28.97 8.78 3.0823 2 2 1 8 30.29 15.64 2.9504 1 0 4 4 30.72 2.22 2.9108 1 2 3 8 31.03 14.12 2.8823 1 3 0 4 31.04 4.20 2.8814 2 1 3 8 31.56 15.63 2.8352 2 2 2 8 31.86 24.99 2.8088 1 3 1 8 31.87 10.99 2.8079 1 1 4 8 32.68 20.71 2.7400 3 1 1 8 33.58 2.27 2.6689 3 0 2 4 34.25 1.16 2.6180 1 3 2 8 34.74 12.67 2.5825 0 2 4 4 35.02 1.28 2.5620 3 1 2 8 35.12 7.27 2.5552 2 0 4 4 35.49 2.15 2.5293 2 2 3 8 36.23 2.83 2.4791 1 2 4 8 36.96 1.01 2.4320 3 2 1 8 37.94 5.45 2.3715 1 3 3 8 38.65 14.83 2.3296 3 1 3 8 39.41 1.27 2.2863 0 4 0 2 40.44 10.50 2.2305 2 2 4 8 40.76 1.21 2.2137 1 4 0 4 40.77 1.81 2.2129 4 0 0 2 41.11 1.20 2.1959 0 2 5 4 42.00 2.97 2.1512 2 3 3 8 42.08 2.13 2.1475 0 4 2 4 42.41 2.23 2.1314 3 2 3 8 42.65 2.84 2.1201 3 3 0 4 42.65 1.77 2.1201 1 3 4 8 43.28 8.64 2.0904 3 3 1 8 43.37 2.48 2.0864 4 0 2 4 43.37 10.22 2.0862 0 0 6 2 44.61 11.28 2.0313 2 4 0 4 45.22 2.54 2.0051 2 4 1 8 45.22 2.31 2.0050 0 4 3 4 45.54 13.09 1.9919 4 2 0 4 46.14 3.23 1.9672 4 2 1 8 46.15 1.11 1.9671 2 2 5 8 47.93 8.66 1.8980 0 2 6 4 48.14 15.08 1.8901 3 3 3 8 48.22 10.97 1.8871 2 0 6 4 49.94 6.26 1.8264 2 4 3 8 50.79 3.63 1.7976 4 2 3 8 50.98 6.03 1.7912 1 5 0 4 51.54 5.02 1.7732 1 5 1 8 51.55 1.99 1.7728 4 3 1 8 52.11 3.43 1.7552 3 3 4 8 52.46 7.86 1.7444 2 2 6 8 53.21 7.31 1.7216 5 1 1 8 53.21 12.59 1.7215 1 1 7 8 53.80 12.20 1.7038 2 4 4 8 54.28 2.26 1.6900 1 3 6 8 54.62 12.50 1.6804 4 2 4 8 55.86 4.59 1.6460 1 5 3 8 57.43 7.90 1.6045 5 1 3 8 58.00 8.46 1.5901 4 4 0 4 58.51 1.99 1.5774 4 4 1 8 59.04 1.91 1.5647 0 0 8 2 59.29 2.00 1.5587 2 2 7 8 59.46 6.15 1.5546 3 5 0 4 59.46 1.25 1.5546 1 5 4 8 60.47 1.30 1.5309 5 3 0 4 60.77 1.10 1.5242 0 6 0 2 60.97 1.97 1.5196 5 3 1 8 60.97 8.66 1.5195 1 3 7 8 61.04 1.33 1.5180 4 0 6 4 61.26 2.73 1.5130 0 6 1 4 61.48 8.49 1.5083 3 1 7 8 62.45 2.20 1.4870 3 3 6 8 62.51 1.56 1.4859 4 4 3 8 63.01 2.73 1.4753 6 0 0 2 63.90 1.90 1.4568 3 5 3 8 63.97 5.31 1.4554 2 4 6 8 64.68 1.90 1.4411 2 6 0 4 64.70 6.28 1.4407 4 2 6 8 64.88 5.67 1.4372 5 3 3 8 65.16 3.15 1.4317 0 6 3 4 65.89 2.93 1.4176 4 4 4 8 66.61 2.79 1.4040 6 2 0 4 67.24 3.31 1.3923 3 5 4 8 68.47 1.06 1.3703 0 6 4 4 68.66 4.51 1.3669 3 3 7 8 68.94 2.14 1.3622 2 6 3 8 69.12 4.18 1.3590 1 5 6 8 69.14 2.45 1.3587 1 1 9 8 70.11 2.00 1.3422 2 4 7 8 70.58 5.11 1.3344 6 0 4 4 73.23 2.21 1.2925 1 7 0 4 74.00 2.08 1.2810 6 2 4 8 74.22 1.48 1.2777 1 4 8 8 75.06 2.81 1.2655 1 5 7 8 75.12 1.55 1.2646 4 4 6 8 76.40 1.07 1.2466 3 5 6 8 76.42 1.05 1.2464 7 1 1 8 76.42 4.60 1.2464 5 1 7 8 77.57 1.25 1.2307 0 6 6 4 78.63 1.21 1.2168 5 5 3 8 79.97 2.74 1.1997 7 1 3 8 80.38 1.46 1.1946 3 7 0 4 80.38 1.87 1.1946 1 7 4 8 80.90 1.76 1.1883 4 4 7 8 81.72 1.69 1.1784 5 5 4 8 82.16 1.28 1.1732 3 5 7 8 82.23 1.16 1.1724 5 0 8 4 82.88 1.30 1.1648 6 2 6 8 82.88 3.17 1.1648 2 2 10 8 83.04 1.04 1.1630 7 3 1 8 83.04 2.15 1.1629 5 3 7 8 83.05 1.75 1.1629 3 3 9 8 83.30 1.95 1.1600 0 6 7 4 86.53 2.93 1.1248 7 3 3 8 86.79 1.67 1.1221 2 6 7 8 86.98 1.26 1.1202 1 1 11 8 87.38 1.81 1.1161 3 7 4 8 89.12 1.49 1.0987 1 7 6 8 89.20 1.57 1.0980 0 4 10 4 89.58 1.16 1.0943 7 3 4 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.