Ba2 Cl F7 Mn Ni Fompeyrine J, Darriet J, Maguer J, Greneche J, Courbion G, Roisnel T, Rodriguez-Carvajal J Journal of Solid State Chemistry 131 (1997) 198-214 Magnetic properties and neutron diffraction study of the chlorofluoride series Ba2 M M' F7 Cl (M, M' = Mn, Fe, Co, Ni, Zn) _cod_database_code 1000448 _database_code_amcsd 0013927 CELL PARAMETERS: 7.7460 5.8200 8.8980 90.000 106.630 90.000 SPACE GROUP: P2_1/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 384.359 Density (g/cm3): 4.810 MAX. ABS. INTENSITY / VOLUME**2: 41.92529661 RIR: 2.838 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.38 1.76 8.5258 0 0 1 2 11.92 11.04 7.4220 1 0 0 2 19.38 12.83 4.5798 1 1 0 4 20.84 2.15 4.2629 0 0 2 2 23.98 39.07 3.7110 2 0 0 2 25.91 89.67 3.4391 0 1 2 4 25.92 74.92 3.4378 -1 1 2 4 26.94 17.57 3.3100 1 0 2 2 26.96 18.59 3.3066 -2 0 2 2 28.53 100.00 3.1290 2 1 0 4 30.29 4.39 2.9510 -1 0 3 2 30.72 40.06 2.9100 0 2 0 2 31.08 6.61 2.8772 1 1 2 4 31.11 5.49 2.8750 -2 1 2 4 31.48 3.94 2.8419 0 0 3 2 33.80 2.01 2.6523 -2 0 3 2 35.14 1.96 2.5537 0 1 3 4 36.31 11.69 2.4740 3 0 0 2 36.40 3.34 2.4683 -3 0 2 2 37.26 1.57 2.4135 -2 1 3 4 37.42 10.60 2.4034 0 2 2 4 37.42 6.26 2.4030 -1 2 2 4 38.88 1.23 2.3164 -2 2 1 4 39.35 30.50 2.2899 2 2 0 4 39.63 22.96 2.2742 2 1 2 4 39.66 18.69 2.2724 -3 1 2 4 40.19 1.83 2.2438 1 1 3 4 40.55 37.65 2.2245 -1 0 4 2 41.31 23.98 2.1855 1 2 2 4 41.33 31.11 2.1845 -2 2 2 4 42.41 2.42 2.1315 0 0 4 2 42.43 1.74 2.1302 -2 0 4 2 43.77 2.02 2.0681 3 1 1 4 43.92 1.03 2.0615 -3 1 3 4 45.31 2.01 2.0015 0 1 4 4 45.33 2.79 2.0005 -2 1 4 4 47.48 3.88 1.9150 3 0 2 2 47.52 6.98 1.9135 -4 0 2 2 47.64 7.52 1.9088 1 0 4 2 47.69 5.90 1.9071 -3 0 4 2 48.32 12.67 1.8834 2 2 2 4 48.35 13.50 1.8824 -3 2 2 4 48.50 1.22 1.8769 1 3 0 4 49.10 1.60 1.8555 4 0 0 2 50.15 1.78 1.8191 3 1 2 4 50.19 1.44 1.8178 -4 1 2 4 50.31 12.99 1.8138 1 1 4 4 50.35 18.85 1.8123 -3 1 4 4 51.71 20.13 1.7678 4 1 0 4 51.73 18.48 1.7673 -1 2 4 4 51.77 8.72 1.7657 0 3 2 4 51.78 10.62 1.7656 -1 3 2 4 53.28 16.18 1.7192 2 3 0 4 54.87 1.83 1.6733 -2 3 2 4 55.53 3.00 1.6550 2 0 4 2 55.59 1.39 1.6533 -4 0 4 2 55.83 1.89 1.6467 2 2 3 4 56.21 1.20 1.6364 0 1 5 4 57.62 5.34 1.5997 3 2 2 4 57.66 5.33 1.5988 -4 2 2 4 57.76 6.47 1.5961 1 2 4 4 57.80 3.35 1.5951 -3 2 4 4 59.78 4.56 1.5470 4 0 2 2 59.82 3.46 1.5460 -5 0 2 2 60.70 5.82 1.5258 2 3 2 4 60.72 3.22 1.5253 -3 3 2 4 63.99 9.79 1.4550 0 4 0 2 65.00 1.10 1.4347 0 3 4 4 65.22 3.63 1.4305 -1 1 6 4 65.23 3.57 1.4303 -2 1 6 4 65.55 1.70 1.4242 -5 0 4 2 67.66 5.58 1.3847 3 1 4 4 67.74 7.13 1.3833 -5 1 4 4 68.72 6.03 1.3660 4 2 2 4 68.76 7.32 1.3653 -5 2 2 4 68.76 1.08 1.3652 2 1 5 4 69.03 3.76 1.3606 1 3 4 4 69.06 7.21 1.3600 -3 3 4 4 69.38 3.08 1.3546 2 4 0 4 70.19 6.23 1.3409 4 3 0 4 70.73 1.61 1.3320 1 4 2 4 70.74 1.87 1.3318 -2 4 2 4 71.33 1.53 1.3223 5 2 0 4 71.71 1.11 1.3162 -1 2 6 4 73.13 3.23 1.2940 1 1 6 4 73.20 1.77 1.2930 -4 1 6 4 74.28 4.18 1.2769 0 2 6 4 74.32 5.21 1.2763 -3 2 6 4 75.37 1.85 1.2610 5 1 2 4 75.42 2.35 1.2604 -6 1 2 4 75.86 1.41 1.2542 3 4 0 4 77.10 2.00 1.2370 6 0 0 2 78.56 7.17 1.2177 -1 4 4 4 78.79 1.30 1.2147 -5 0 6 2 79.41 1.39 1.2067 -4 2 6 4 82.04 1.45 1.1746 -1 3 6 4 82.06 1.51 1.1744 -2 3 6 4 83.43 1.18 1.1585 3 4 2 4 83.46 1.85 1.1582 -4 4 2 4 83.55 2.01 1.1572 1 4 4 4 83.59 1.44 1.1568 -3 4 4 4 84.30 3.08 1.1488 3 3 4 4 84.37 3.22 1.1480 -5 3 4 4 85.25 1.88 1.1384 6 2 0 4 85.37 1.27 1.1371 4 2 4 4 86.71 2.24 1.1229 0 5 2 4 86.72 1.53 1.1228 -1 5 2 4 87.91 2.33 1.1106 2 5 0 4 89.46 1.82 1.0954 1 3 6 4 89.74 1.04 1.0927 2 4 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.