Ba4 F13 H5 Mo2 O6 Fourquet J, Duroy H, Crosnier-Lopez M Zeitschrift fur Anorganische und Allgemeine Chemie 623 (1997) 439-443 Synthesis and crystal structure of Ba4 Mo2 O5 F7 (H F2)3.H2 O _cod_database_code 1000451 _database_code_amcsd 0015815 CELL PARAMETERS: 16.4970 8.6939 11.5174 90.000 90.000 90.000 SPACE GROUP: Pnnm X-RAY WAVELENGTH: 1.541838 Cell Volume: 1651.862 Density (g/cm3): 4.359 MAX. ABS. INTENSITY / VOLUME**2: 29.14475149 RIR: 2.177 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 9.36 10.49 9.4436 1 0 1 4 10.73 82.55 8.2485 2 0 0 2 14.80 1.46 5.9838 2 1 0 4 17.87 1.84 4.9624 3 0 1 4 18.79 19.03 4.7218 2 0 2 4 20.43 18.59 4.3470 0 2 0 2 20.61 7.20 4.3098 3 1 1 8 21.41 6.63 4.1493 2 1 2 8 21.55 33.34 4.1242 4 0 0 2 22.52 62.02 3.9487 1 2 1 8 23.13 3.81 3.8456 2 2 0 4 23.80 52.96 3.7392 1 0 3 4 23.88 36.57 3.7262 4 1 0 4 25.68 92.49 3.4695 0 2 2 4 25.94 3.83 3.4350 1 1 3 8 26.58 18.54 3.3530 4 0 2 4 27.27 84.10 3.2698 3 2 1 8 27.90 14.88 3.1981 2 2 2 8 28.13 26.88 3.1718 5 0 1 4 28.35 100.00 3.1479 3 0 3 4 28.53 7.50 3.1284 4 1 2 8 29.86 33.55 2.9919 4 2 0 4 29.99 3.20 2.9797 5 1 1 8 30.19 10.29 2.9598 3 1 3 8 31.56 27.83 2.8347 1 2 3 8 32.57 5.02 2.7495 6 0 0 2 32.95 2.42 2.7185 2 0 4 4 33.76 12.68 2.6550 4 2 2 8 34.20 4.18 2.6215 6 1 0 4 35.02 4.40 2.5622 5 2 1 8 35.20 3.60 2.5496 3 2 3 8 35.88 4.20 2.5025 3 3 1 8 36.20 3.94 2.4812 6 0 2 4 37.46 18.32 2.4005 0 2 4 4 37.70 8.04 2.3859 6 1 2 8 38.12 2.36 2.3609 4 0 4 4 38.75 2.13 2.3237 6 2 0 4 39.01 9.22 2.3089 7 0 1 4 39.08 17.29 2.3049 2 2 4 8 39.34 3.13 2.2906 1 3 3 8 39.50 4.27 2.2813 1 0 5 4 39.55 2.94 2.2784 4 1 4 8 40.42 5.29 2.2315 7 1 1 8 40.90 5.33 2.2066 1 1 5 8 41.17 9.23 2.1925 4 3 2 8 41.55 38.10 2.1735 0 4 0 2 41.65 71.10 2.1686 5 2 3 8 41.92 3.76 2.1549 6 2 2 8 42.24 1.46 2.1394 5 3 1 8 42.40 9.17 2.1321 3 3 3 8 43.04 8.48 2.1017 2 4 0 4 43.63 1.31 2.0747 4 2 4 8 43.87 3.12 2.0639 3 1 5 8 43.91 4.91 2.0621 8 0 0 2 44.87 12.28 2.0201 1 2 5 8 45.14 2.00 2.0085 7 0 3 4 45.19 13.34 2.0065 8 1 0 4 45.47 2.60 1.9946 6 3 0 4 45.76 1.12 1.9827 2 3 4 8 45.97 5.03 1.9744 2 4 2 8 46.40 26.47 1.9569 7 1 3 8 46.79 8.42 1.9414 8 0 2 4 47.27 8.05 1.9228 4 4 0 4 47.36 27.98 1.9196 0 0 6 2 47.64 21.50 1.9088 3 2 5 8 48.02 4.21 1.8947 8 1 2 8 48.18 10.23 1.8887 5 0 5 4 48.29 4.17 1.8848 6 3 2 8 48.44 23.50 1.8791 1 4 3 8 48.70 3.56 1.8696 2 0 6 4 48.88 11.94 1.8631 8 2 0 4 49.82 2.05 1.8304 4 3 4 8 50.01 5.03 1.8238 4 4 2 8 50.03 9.63 1.8233 7 2 3 8 50.47 7.65 1.8083 6 2 4 8 50.54 5.19 1.8058 7 3 1 8 50.93 10.43 1.7929 5 4 1 8 51.07 24.33 1.7886 3 4 3 8 51.56 1.86 1.7726 8 2 2 8 52.08 1.40 1.7560 0 2 6 4 52.59 4.88 1.7403 4 0 6 4 53.34 1.39 1.7175 2 2 6 8 53.48 1.02 1.7135 3 3 5 8 53.71 6.94 1.7064 4 1 6 8 53.76 2.54 1.7051 6 4 0 4 54.02 1.07 1.6976 2 4 4 8 54.62 7.83 1.6802 8 3 0 4 54.75 2.24 1.6765 8 0 4 4 55.68 4.24 1.6508 7 3 3 8 55.85 2.32 1.6462 8 1 4 8 56.27 1.99 1.6349 6 4 2 8 56.39 1.25 1.6317 2 5 2 8 56.80 4.21 1.6208 10 1 0 4 56.89 3.21 1.6185 7 1 5 8 57.00 8.71 1.6156 4 2 6 8 57.11 1.54 1.6129 8 3 2 8 57.26 1.17 1.6089 1 1 7 8 57.52 6.10 1.6022 4 5 0 4 58.30 3.95 1.5826 7 4 1 8 58.54 2.21 1.5767 1 5 3 8 58.66 2.10 1.5739 6 0 6 4 59.06 2.05 1.5642 8 2 4 8 59.22 1.05 1.5602 10 1 2 8 59.70 1.46 1.5488 6 1 6 8 60.42 1.41 1.5322 1 2 7 8 60.86 1.96 1.5220 3 5 3 8 62.32 3.33 1.4899 10 2 2 8 62.45 1.06 1.4872 11 0 1 4 62.70 6.37 1.4819 3 2 7 8 63.28 1.22 1.4696 6 5 0 4 63.46 3.12 1.4659 11 1 1 8 64.15 1.32 1.4517 5 1 7 8 64.29 1.88 1.4490 0 6 0 2 64.34 5.04 1.4479 8 4 2 8 64.80 13.45 1.4388 0 4 6 4 64.91 1.30 1.4366 9 3 3 8 65.06 1.86 1.4337 10 3 0 4 65.13 2.21 1.4322 1 6 1 8 65.14 4.66 1.4321 7 3 5 8 65.17 1.38 1.4314 10 0 4 4 65.47 7.00 1.4256 5 4 5 8 65.48 1.26 1.4255 1 3 7 8 65.90 3.32 1.4174 2 4 6 8 66.44 2.00 1.4071 11 2 1 8 66.55 4.55 1.4052 0 6 2 4 66.55 1.38 1.4050 8 0 6 4 66.84 1.23 1.3997 2 1 8 8 66.99 2.50 1.3969 11 0 3 4 67.12 2.98 1.3946 5 2 7 8 67.30 1.32 1.3912 10 3 2 8 67.32 5.05 1.3909 3 6 1 8 67.53 5.15 1.3870 8 1 6 8 67.63 1.28 1.3852 2 6 2 8 67.76 2.00 1.3829 1 5 5 8 67.97 8.39 1.3792 11 1 3 8 68.65 2.38 1.3671 4 6 0 4 68.68 5.71 1.3667 0 2 8 4 69.09 1.25 1.3596 10 2 4 8 69.11 1.52 1.3592 4 0 8 4 69.15 4.10 1.3585 4 4 6 8 69.19 1.77 1.3579 12 1 0 4 69.70 1.72 1.3491 7 0 7 4 70.43 6.30 1.3369 8 2 6 8 70.84 1.52 1.3301 4 6 2 8 70.85 2.29 1.3299 11 2 3 8 70.89 2.78 1.3293 8 5 0 4 71.00 2.22 1.3275 8 4 4 8 71.37 1.40 1.3216 12 1 2 8 71.81 9.45 1.3146 7 5 3 8 71.84 1.45 1.3141 10 4 0 4 71.92 1.01 1.3128 7 4 5 8 71.93 1.28 1.3127 5 3 7 8 72.92 2.00 1.2973 4 2 8 8 73.05 1.18 1.2952 8 5 2 8 73.11 2.77 1.2943 0 6 4 4 74.16 1.54 1.2787 2 6 4 8 74.35 1.63 1.2759 1 0 9 4 74.42 1.84 1.2748 6 4 6 8 75.15 3.99 1.2643 8 3 6 8 75.31 2.29 1.2619 6 1 8 8 75.56 5.31 1.2584 11 3 3 8 75.88 6.26 1.2539 5 6 3 8 76.42 3.89 1.2464 3 0 9 4 76.60 2.99 1.2439 11 1 5 8 76.73 3.37 1.2421 12 3 0 4 77.00 2.24 1.2384 10 1 6 8 77.58 1.92 1.2306 4 3 8 8 77.62 3.90 1.2300 4 5 6 8 78.14 2.59 1.2231 1 6 5 8 79.05 1.26 1.2114 13 2 1 8 79.36 1.33 1.2074 11 2 5 8 79.56 1.08 1.2049 13 0 3 4 80.18 1.43 1.1971 9 4 5 8 80.18 2.92 1.1971 3 6 5 8 80.21 1.70 1.1968 10 5 0 4 80.31 1.34 1.1954 10 4 4 8 80.94 1.28 1.1877 2 4 8 8 81.55 2.46 1.1805 8 0 8 4 81.71 1.07 1.1786 9 2 7 8 81.99 1.40 1.1751 11 4 3 8 82.00 2.95 1.1751 7 6 3 8 82.34 1.23 1.1711 6 6 4 8 82.66 1.51 1.1674 6 3 8 8 82.70 1.09 1.1669 6 5 6 8 82.89 1.38 1.1647 4 7 2 8 83.20 1.20 1.1611 13 2 3 8 83.92 2.05 1.1531 11 3 5 8 83.97 1.52 1.1524 4 4 8 8 84.14 3.89 1.1506 5 2 9 8 84.31 1.02 1.1487 10 3 6 8 84.53 1.37 1.1462 7 4 7 8 86.02 1.65 1.1302 11 5 1 8 87.41 1.74 1.1158 14 2 2 8 87.45 2.04 1.1153 7 1 9 8 87.63 2.10 1.1135 4 6 6 8 87.92 1.21 1.1106 6 7 2 8 88.12 1.47 1.1086 12 1 6 8 88.65 1.38 1.1033 2 2 10 8 88.96 2.30 1.1003 1 4 9 8 88.99 1.08 1.1000 6 4 8 8 89.63 1.22 1.0938 7 7 1 8 89.73 2.14 1.0928 8 5 6 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.