Ba F9 Fe2 Na
Ferey G, Leblanc M, Kozak A, Samouel M, Pannetier J
Journal of Solid State Chemistry 56 (1985) 288-297
Crystal structures of Na Ba Cr2 F9 and Na Ba Fe2 F9 Structural
correlations with other enneafluorides, particularly with KPbCr2F9
_cod_database_code 1000205
_database_code_amcsd 0013535
CELL PARAMETERS: 7.3630 17.5270 5.4840 90.000 91.500 90.000
SPACE GROUP: P2_1/n
X-RAY WAVELENGTH: 1.541838
Cell Volume: 707.475
Density (g/cm3): 4.158
MAX. ABS. INTENSITY / VOLUME**2: 15.18010167
RIR: 1.189
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
10.09 46.11 8.7635 0 2 0 2
13.05 11.15 6.7863 1 1 0 4
15.72 15.63 5.6362 1 2 0 4
19.10 24.89 4.6477 0 2 1 4
19.40 2.94 4.5760 1 3 0 4
20.27 1.64 4.3818 0 4 0 2
20.45 21.05 4.3425 1 0 1 2
20.58 18.96 4.3157 -1 1 1 4
21.08 48.84 4.2151 1 1 1 4
22.40 39.87 3.9698 -1 2 1 4
22.86 15.06 3.8910 1 2 1 4
23.63 1.13 3.7651 1 4 0 4
24.72 60.03 3.6017 2 1 0 4
25.15 66.25 3.5415 -1 3 1 4
25.56 55.39 3.4852 1 3 1 4
26.03 100.00 3.4228 0 4 1 4
26.26 39.95 3.3932 2 2 0 4
28.20 52.28 3.1648 1 5 0 4
28.58 31.39 3.1232 -1 4 1 4
28.67 3.56 3.1139 2 3 0 4
28.95 23.65 3.0844 1 4 1 4
29.32 19.50 3.0462 -2 1 1 4
30.03 20.29 2.9754 2 1 1 4
30.26 1.23 2.9533 0 5 1 4
30.60 15.79 2.9212 0 6 0 2
30.65 39.11 2.9169 -2 2 1 4
31.34 31.74 2.8546 2 2 1 4
31.75 4.90 2.8181 2 4 0 4
32.51 11.05 2.7543 -1 5 1 4
32.67 53.10 2.7411 0 0 2 2
32.76 14.56 2.7337 -2 3 1 4
32.84 12.65 2.7276 1 5 1 4
32.99 13.89 2.7152 1 6 0 4
33.41 14.04 2.6822 2 3 1 4
34.28 11.47 2.6161 0 2 2 4
34.80 7.38 2.5780 0 6 1 4
36.13 15.73 2.4862 2 4 1 4
36.15 4.29 2.4847 -1 2 2 4
36.75 3.28 2.4458 1 2 2 4
37.09 2.84 2.4238 1 6 1 4
37.96 21.78 2.3705 1 7 0 4
38.56 1.06 2.3348 1 3 2 4
38.75 6.93 2.3238 0 4 2 4
38.83 3.03 2.3194 -2 5 1 4
39.38 3.93 2.2880 2 6 0 4
39.39 1.64 2.2876 2 5 1 4
39.85 3.57 2.2621 3 3 0 4
39.86 36.98 2.2616 -3 0 1 2
40.44 35.47 2.2303 -1 4 2 4
40.68 4.79 2.2179 3 0 1 2
40.86 16.82 2.2087 -2 1 2 4
41.02 2.15 2.2004 3 1 1 4
41.20 6.07 2.1909 0 8 0 2
41.22 9.84 2.1899 -3 2 1 4
41.84 1.96 2.1593 0 5 2 4
41.86 12.17 2.1579 -2 2 2 4
41.93 3.57 2.1548 2 1 2 4
42.02 10.68 2.1501 3 2 1 4
42.21 12.04 2.1407 3 4 0 4
42.57 4.74 2.1238 -2 6 1 4
42.91 45.77 2.1075 2 2 2 4
43.08 38.59 2.0998 1 8 0 4
43.09 10.62 2.0994 2 6 1 4
43.43 17.92 2.0836 -1 5 2 4
43.50 4.63 2.0805 -2 3 2 4
43.73 4.74 2.0702 2 7 0 4
43.94 19.16 2.0605 1 5 2 4
44.52 4.58 2.0353 2 3 2 4
44.54 7.54 2.0344 0 8 1 4
45.11 9.11 2.0097 -3 4 1 4
45.37 2.98 1.9989 0 6 2 4
45.86 17.96 1.9788 3 4 1 4
46.67 3.68 1.9462 -2 7 1 4
46.69 4.52 1.9455 2 4 2 4
46.87 4.48 1.9384 -1 6 2 4
47.16 2.21 1.9273 2 7 1 4
48.34 3.68 1.8827 1 9 0 4
48.35 1.34 1.8825 2 8 0 4
48.45 31.55 1.8787 3 6 0 4
48.58 1.49 1.8743 3 5 1 4
49.37 1.04 1.8459 2 5 2 4
49.83 17.40 1.8301 4 1 0 4
50.35 6.17 1.8123 -3 2 2 4
50.70 10.10 1.8005 -1 7 2 4
50.86 2.11 1.7953 3 1 2 4
51.06 1.10 1.7889 0 2 3 4
51.07 4.36 1.7883 -3 6 1 4
51.09 11.59 1.7879 -2 8 1 4
51.16 7.60 1.7856 1 7 2 4
51.20 3.77 1.7843 -1 9 1 4
51.42 5.13 1.7769 1 9 1 4
51.54 9.68 1.7732 2 8 1 4
51.62 1.33 1.7707 -2 6 2 4
51.71 3.47 1.7677 3 2 2 4
51.75 1.47 1.7664 3 6 1 4
51.87 5.38 1.7628 1 0 3 2
52.15 7.95 1.7539 1 1 3 4
52.19 2.52 1.7527 0 10 0 2
52.32 9.89 1.7486 -1 2 3 4
52.51 4.02 1.7426 2 6 2 4
53.11 2.14 1.7244 3 3 2 4
53.12 5.11 1.7240 -4 2 1 4
53.71 7.17 1.7067 -1 3 3 4
53.72 10.67 1.7062 -3 4 2 4
53.76 2.81 1.7050 1 10 0 4
54.00 5.71 1.6981 4 2 1 4
54.36 4.60 1.6876 1 3 3 4
54.40 8.31 1.6866 0 4 3 4
54.50 5.91 1.6838 -4 3 1 4
54.88 5.76 1.6730 -1 8 2 4
55.00 25.42 1.6695 0 10 1 4
55.03 4.92 1.6688 3 4 2 4
55.31 2.04 1.6609 1 8 2 4
55.36 5.17 1.6596 4 3 1 4
55.61 4.18 1.6527 -1 4 3 4
55.78 5.96 1.6480 -2 9 1 4
55.83 2.07 1.6467 -2 1 3 4
56.06 1.08 1.6404 2 7 2 4
56.21 4.77 1.6365 2 9 1 4
56.25 2.03 1.6354 1 4 3 4
56.30 1.87 1.6342 3 8 0 4
56.48 1.23 1.6293 4 5 0 4
56.63 8.68 1.6254 -2 2 3 4
56.82 1.19 1.6204 0 5 3 4
57.10 6.23 1.6130 2 1 3 4
57.89 5.31 1.5929 2 2 3 4
57.95 1.94 1.5915 -2 3 3 4
57.99 1.86 1.5903 -1 5 3 4
58.31 1.92 1.5824 2 10 0 4
58.62 2.26 1.5749 1 5 3 4
58.67 10.39 1.5736 -3 8 1 4
58.75 2.02 1.5717 -4 5 1 4
59.05 14.58 1.5644 -3 6 2 4
59.16 1.69 1.5616 -2 8 2 4
59.19 1.87 1.5610 2 3 3 4
59.29 3.03 1.5587 3 8 1 4
59.57 2.66 1.5520 4 5 1 4
59.78 1.53 1.5470 1 9 2 4
60.05 9.55 1.5406 -4 1 2 4
60.28 10.44 1.5354 3 6 2 4
60.82 4.51 1.5231 -4 2 2 4
61.67 8.87 1.5040 4 1 2 4
62.04 1.56 1.4959 -2 5 3 4
62.58 2.01 1.4843 -3 0 3 2
62.94 3.16 1.4766 0 10 2 4
62.97 1.85 1.4761 0 7 3 4
63.55 2.16 1.4641 3 7 2 4
63.58 2.97 1.4634 -3 2 3 4
63.64 3.04 1.4622 2 11 0 4
64.15 1.52 1.4518 5 2 0 4
64.25 1.08 1.4497 2 9 2 4
64.36 2.08 1.4475 3 0 3 2
64.54 6.55 1.4439 1 10 2 4
64.61 1.39 1.4426 3 1 3 4
65.34 1.07 1.4282 3 2 3 4
65.39 1.33 1.4273 4 4 2 4
65.44 1.41 1.4262 3 10 0 4
65.94 5.28 1.4167 2 6 3 4
65.95 2.60 1.4165 -2 11 1 4
66.16 2.89 1.4124 -5 2 1 4
66.33 1.78 1.4092 2 11 1 4
66.34 1.30 1.4091 4 8 0 4
66.51 4.72 1.4058 -3 4 3 4
66.65 2.06 1.4033 0 8 3 4
67.12 8.53 1.3945 5 2 1 4
67.37 2.02 1.3900 -5 3 1 4
67.49 2.79 1.3878 -1 12 1 4
67.62 2.83 1.3854 -3 10 1 4
67.92 2.18 1.3801 -2 7 3 4
68.20 2.32 1.3751 3 10 1 4
68.24 1.28 1.3745 3 4 3 4
68.32 4.20 1.3729 5 3 1 4
68.41 4.46 1.3713 -4 8 1 4
68.46 8.47 1.3705 0 0 4 2
69.04 2.49 1.3604 -5 4 1 4
69.06 1.07 1.3601 2 7 3 4
69.20 3.95 1.3576 2 12 0 4
69.60 2.09 1.3508 1 11 2 4
69.98 1.74 1.3444 5 4 1 4
70.37 2.63 1.3379 -1 2 4 4
70.59 1.56 1.3343 0 3 4 4
71.12 1.70 1.3256 1 2 4 4
71.16 1.19 1.3250 -5 5 1 4
71.24 1.19 1.3237 3 9 2 4
71.46 1.07 1.3201 -2 8 3 4
71.81 3.59 1.3146 5 6 0 4
72.30 2.12 1.3069 1 9 3 4
72.41 5.86 1.3051 -4 9 1 4
72.58 7.13 1.3025 2 8 3 4
72.78 1.39 1.2994 -4 2 3 4
73.02 1.90 1.2957 -2 11 2 4
73.15 3.81 1.2937 4 9 1 4
73.27 3.89 1.2920 -2 1 4 4
73.46 7.76 1.2890 0 12 2 4
73.56 1.05 1.2876 1 13 1 4
73.76 2.62 1.2846 2 11 2 4
73.94 2.48 1.2819 -4 3 3 4
74.53 5.47 1.2731 -3 10 2 4
74.79 1.75 1.2694 5 2 2 4
74.82 3.10 1.2690 5 7 0 4
75.03 1.71 1.2660 2 13 0 4
75.10 6.81 1.2649 0 10 3 4
75.24 1.60 1.2629 -1 5 4 4
75.40 2.23 1.2607 -2 9 3 4
75.43 3.48 1.2603 2 2 4 4
75.55 1.59 1.2586 -4 4 3 4
75.63 2.99 1.2574 3 10 2 4
75.97 1.86 1.2525 1 5 4 4
76.02 2.18 1.2519 0 14 0 2
76.13 1.13 1.2503 4 3 3 4
77.53 1.32 1.2313 5 4 2 4
77.71 1.40 1.2288 -3 8 3 4
77.75 1.61 1.2283 -1 6 4 4
77.76 1.53 1.2282 -5 5 2 4
77.87 3.73 1.2267 6 0 0 2
78.16 1.69 1.2229 2 4 4 4
78.24 4.47 1.2219 5 8 0 4
78.29 1.16 1.2212 -2 12 2 4
78.77 1.09 1.2149 6 2 0 4
79.01 3.07 1.2119 2 12 2 4
79.33 1.07 1.2077 3 8 3 4
79.59 1.86 1.2045 4 11 0 4
79.90 1.41 1.2006 6 3 0 4
80.25 2.06 1.1963 -5 6 2 4
80.54 2.35 1.1927 -6 2 1 4
80.69 2.71 1.1909 -1 7 4 4
81.15 1.82 1.1852 2 14 0 4
81.40 2.51 1.1822 1 7 4 4
81.52 1.77 1.1807 -4 11 1 4
82.03 1.89 1.1747 5 6 2 4
82.23 1.76 1.1724 4 6 3 4
82.24 1.87 1.1723 4 11 1 4
82.74 1.98 1.1664 -3 4 4 4
83.16 2.18 1.1616 -5 7 2 4
83.23 1.24 1.1609 -6 4 1 4
83.32 1.49 1.1598 3 3 4 4
83.90 2.44 1.1533 -2 13 2 4
84.04 7.18 1.1516 -1 8 4 4
84.08 1.27 1.1513 -5 2 3 4
84.41 1.77 1.1475 -2 11 3 4
84.61 1.66 1.1454 2 13 2 4
84.73 1.21 1.1440 4 12 0 4
84.88 1.27 1.1425 3 4 4 4
84.94 1.28 1.1418 5 7 2 4
85.13 1.08 1.1397 4 7 3 4
85.19 1.25 1.1390 -5 3 3 4
85.22 1.33 1.1388 0 14 2 4
85.78 1.75 1.1327 -3 10 3 4
85.96 3.32 1.1308 -6 0 2 2
86.01 2.64 1.1303 -1 12 3 4
86.02 2.66 1.1302 -1 15 1 4
86.19 2.74 1.1283 1 15 1 4
86.50 1.67 1.1252 -5 8 2 4
86.65 1.30 1.1235 1 14 2 4
86.74 2.29 1.1227 5 2 3 4
86.85 1.20 1.1215 -6 2 2 4
87.19 3.41 1.1179 -3 6 4 4
87.47 1.78 1.1151 -2 8 4 4
87.88 2.03 1.1110 -4 1 4 4
88.00 1.22 1.1098 -4 11 2 4
88.08 1.10 1.1090 6 0 2 2
88.27 2.72 1.1071 5 8 2 4
88.53 1.21 1.1045 1 9 4 4
88.55 1.07 1.1043 -4 2 4 4
88.74 1.01 1.1024 -5 5 3 4
89.32 1.58 1.0968 3 6 4 4
89.47 3.58 1.0953 -3 14 1 4
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XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.