Cl5 D2 Fe O Rb2
Gabas M, Palacio F, Rodriguez-Carvajal J, Visser D
Journal of Physics: Condensed Matter 7 (1995) 4725-4738
Magnetic structures of the three-dimensional Heisenberg
antiferromagnets K2FeCl5*(D2O) and Rb2FeCl5*(D2O)
_cod_database_code 1006104
_database_code_amcsd 0013277
CELL PARAMETERS: 13.7101 9.8517 7.0255 90.000 90.000 90.000
SPACE GROUP: Pnma
X-RAY WAVELENGTH: 1.541838
Cell Volume: 948.919
Density (g/cm3): 2.954
MAX. ABS. INTENSITY / VOLUME**2: 14.89417439
RIR: 1.642
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
12.91 3.87 6.8551 2 0 0 2
14.17 5.99 6.2524 1 0 1 4
15.49 48.40 5.7200 0 1 1 4
15.75 45.93 5.6269 2 1 0 4
16.79 3.42 5.2790 1 1 1 8
18.01 7.48 4.9258 0 2 0 2
18.08 2.49 4.9064 2 0 1 4
22.99 7.80 3.8693 1 2 1 8
23.22 2.38 3.8309 3 0 1 4
25.36 7.27 3.5127 0 0 2 2
25.63 78.03 3.4762 2 2 1 8
26.00 26.60 3.4275 4 0 0 2
26.19 31.17 3.4028 1 0 2 4
28.99 24.84 3.0805 4 0 1 4
29.54 41.27 3.0240 3 2 1 8
29.99 4.59 2.9798 2 1 2 8
30.04 5.43 2.9749 0 3 1 4
30.18 6.82 2.9616 2 3 0 4
30.40 4.65 2.9401 4 1 1 8
31.28 35.21 2.8600 0 2 2 4
31.81 100.00 2.8134 4 2 0 4
31.97 93.59 2.7997 1 2 2 8
32.14 54.78 2.7851 3 0 2 4
33.43 1.24 2.6800 3 1 2 8
34.34 11.10 2.6118 4 2 1 8
36.33 1.34 2.4726 5 1 1 8
36.48 78.03 2.4629 0 4 0 2
36.63 44.88 2.4532 4 0 2 4
37.08 1.34 2.4244 3 2 2 8
37.79 1.14 2.3805 4 1 2 8
39.32 1.39 2.2915 1 4 1 8
39.81 1.32 2.2643 2 3 2 8
40.71 3.25 2.2161 2 0 3 4
41.79 29.52 2.1615 5 0 2 4
42.83 5.97 2.1113 5 1 2 8
43.29 10.04 2.0903 1 2 3 8
43.42 6.24 2.0841 3 0 3 4
43.67 3.50 2.0728 6 2 0 4
44.43 4.53 2.0390 3 1 3 8
44.95 3.20 2.0166 0 4 2 4
45.34 11.17 2.0001 4 4 0 4
45.46 12.28 1.9952 1 4 2 8
45.63 14.36 1.9881 6 2 1 8
45.85 6.31 1.9793 5 2 2 8
47.25 10.32 1.9237 4 4 1 8
47.36 15.57 1.9194 3 2 3 8
47.95 2.76 1.8974 4 1 3 8
47.95 3.14 1.8971 0 5 1 4
48.05 2.65 1.8937 2 5 0 4
48.24 5.99 1.8866 7 0 1 4
48.41 3.06 1.8802 6 1 2 8
49.40 25.98 1.8450 3 4 2 8
50.55 2.52 1.8055 5 3 2 8
51.17 1.67 1.7852 6 2 2 8
51.31 1.60 1.7808 5 0 3 4
51.90 1.95 1.7618 7 2 1 8
51.97 1.61 1.7597 3 3 3 8
52.07 1.63 1.7564 0 0 4 2
52.53 15.11 1.7421 1 0 4 4
52.66 25.20 1.7381 4 4 2 8
53.41 3.15 1.7155 1 1 4 8
53.47 9.69 1.7138 8 0 0 2
53.89 1.78 1.7014 2 0 4 4
54.34 1.05 1.6884 8 1 0 4
55.12 1.59 1.6662 4 3 3 8
55.17 7.27 1.6649 8 0 1 4
55.35 1.33 1.6598 4 5 1 8
55.54 1.71 1.6545 6 3 2 8
55.55 3.58 1.6544 0 2 4 4
55.80 2.23 1.6474 2 4 3 8
55.99 1.02 1.6424 1 2 4 8
56.02 2.53 1.6417 8 1 1 8
56.10 3.01 1.6395 3 0 4 4
56.66 20.71 1.6246 5 4 2 8
56.99 1.01 1.6160 7 2 2 8
57.97 4.82 1.5910 3 4 3 8
58.52 8.32 1.5773 8 2 1 8
59.10 1.68 1.5631 4 0 4 4
59.35 6.38 1.5571 2 6 1 8
59.42 4.56 1.5556 3 2 4 8
60.12 1.59 1.5390 1 3 4 8
61.44 4.07 1.5092 3 6 1 8
61.74 2.89 1.5024 7 0 3 4
61.96 4.95 1.4977 7 4 1 8
62.32 3.79 1.4899 4 2 4 8
62.43 2.91 1.4875 0 6 2 4
62.55 1.34 1.4850 8 3 1 8
62.75 9.10 1.4808 4 6 0 4
62.83 1.92 1.4790 5 0 4 4
62.84 9.17 1.4788 1 6 2 8
63.26 1.88 1.4700 8 2 2 8
63.93 1.81 1.4561 5 5 2 8
64.29 1.26 1.4490 4 6 1 8
64.58 1.28 1.4431 5 4 3 8
64.89 11.51 1.4370 7 2 3 8
65.15 1.64 1.4318 3 5 3 8
65.25 1.48 1.4300 0 4 4 4
65.64 13.42 1.4223 1 4 4 8
65.95 5.83 1.4165 5 2 4 8
66.46 8.70 1.4067 8 4 0 4
66.83 1.56 1.3999 2 4 4 8
66.95 1.08 1.3976 9 0 2 4
67.96 6.77 1.3793 8 4 1 8
68.12 1.01 1.3765 2 0 5 4
68.29 1.09 1.3734 6 5 2 8
68.79 2.87 1.3648 3 4 4 8
69.97 4.68 1.3445 9 2 2 8
70.24 2.39 1.3400 6 2 4 8
70.36 2.05 1.3380 1 6 3 8
71.12 3.31 1.3257 2 2 5 8
71.42 1.67 1.3208 10 2 0 4
71.48 1.62 1.3197 4 4 4 8
72.10 2.93 1.3100 6 6 1 8
72.25 1.87 1.3076 7 0 4 4
72.26 1.19 1.3075 5 6 2 8
72.41 1.24 1.3051 1 5 4 8
72.87 1.13 1.2981 10 2 1 8
73.41 3.12 1.2898 3 6 3 8
73.89 2.94 1.2826 7 4 3 8
74.27 1.79 1.2770 9 0 3 4
74.63 1.11 1.2717 8 5 1 8
74.89 1.96 1.2679 5 4 4 8
75.65 1.71 1.2570 4 2 5 8
77.51 5.46 1.2315 0 8 0 2
78.73 1.18 1.2155 9 4 2 8
79.82 1.14 1.2016 2 4 5 8
80.69 2.42 1.1908 11 2 1 8
82.35 1.20 1.1709 0 0 6 2
82.51 2.43 1.1691 8 6 1 8
83.29 1.38 1.1602 3 6 4 8
83.40 1.29 1.1589 4 8 0 4
83.48 1.39 1.1580 1 8 2 8
83.75 2.25 1.1549 7 4 4 8
84.12 1.09 1.1508 9 0 4 4
84.78 1.30 1.1435 4 8 1 8
84.82 1.53 1.1430 9 1 4 8
85.18 2.81 1.1392 0 2 6 4
85.69 2.27 1.1336 9 4 3 8
85.84 1.30 1.1321 4 6 4 8
86.26 3.04 1.1277 12 0 1 4
86.39 3.67 1.1263 3 8 2 8
87.48 1.02 1.1150 5 4 5 8
88.14 4.19 1.1084 7 6 3 8
88.17 3.29 1.1080 4 0 6 4
88.93 4.06 1.1006 4 8 2 8
88.96 1.92 1.1002 11 0 3 4
89.06 1.98 1.0993 12 2 1 8
89.10 2.22 1.0989 5 6 4 8
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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.