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 1006105
_database_code_amcsd 0013278
CELL PARAMETERS: 13.6798 9.8507 7.0069 90.000 90.000 90.000
SPACE GROUP: Pnma
X-RAY WAVELENGTH: 1.541838
Cell Volume: 944.219
Density (g/cm3): 2.969
MAX. ABS. INTENSITY / VOLUME**2: 14.83713098
RIR: 1.627
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
12.94 3.79 6.8399 2 0 0 2
14.20 6.35 6.2364 1 0 1 4
15.52 49.36 5.7098 0 1 1 4
15.77 48.64 5.6183 2 1 0 4
16.83 3.61 5.2692 1 1 1 8
18.01 7.53 4.9254 0 2 0 2
18.12 2.28 4.8945 2 0 1 4
23.01 8.01 3.8653 1 2 1 8
23.27 2.76 3.8219 3 0 1 4
25.42 6.52 3.5034 0 0 2 2
25.66 78.89 3.4718 2 2 1 8
26.05 26.42 3.4200 4 0 0 2
26.26 32.26 3.3939 1 0 2 4
29.05 25.46 3.0734 4 0 1 4
29.58 42.47 3.0195 3 2 1 8
30.05 5.07 2.9733 0 3 1 4
30.06 4.31 2.9728 2 1 2 8
30.19 7.00 2.9601 2 3 0 4
30.47 4.90 2.9339 4 1 1 8
31.33 35.19 2.8549 0 2 2 4
31.86 100.00 2.8092 4 2 0 4
32.03 94.33 2.7947 1 2 2 8
32.22 55.00 2.7782 3 0 2 4
33.51 1.08 2.6738 3 1 2 8
34.39 11.75 2.6074 4 2 1 8
36.41 1.36 2.4673 5 1 1 8
36.49 78.92 2.4627 0 4 0 2
36.72 44.46 2.4473 4 0 2 4
37.16 1.43 2.4198 3 2 2 8
37.88 1.05 2.3751 4 1 2 8
39.34 1.47 2.2906 1 4 1 8
39.87 1.15 2.2611 2 3 2 8
40.83 3.45 2.2103 2 0 3 4
41.90 29.65 2.1563 5 0 2 4
42.94 5.94 2.1065 5 1 2 8
43.38 10.24 2.0857 1 2 3 8
43.54 6.56 2.0788 3 0 3 4
43.75 3.54 2.0690 6 2 0 4
44.55 4.75 2.0340 3 1 3 8
44.99 2.89 2.0147 0 4 2 4
45.38 11.08 1.9985 4 4 0 4
45.51 12.69 1.9932 1 4 2 8
45.72 14.17 1.9843 6 2 1 8
45.94 6.37 1.9753 5 2 2 8
47.30 10.57 1.9218 4 4 1 8
47.47 15.45 1.9152 3 2 3 8
47.97 3.38 1.8966 0 5 1 4
48.06 2.85 1.8932 2 5 0 4
48.07 2.67 1.8928 4 1 3 8
48.35 6.07 1.8824 7 0 1 4
48.53 3.41 1.8760 6 1 2 8
49.46 26.10 1.8429 3 4 2 8
50.64 2.39 1.8024 5 3 2 8
51.28 1.54 1.7816 6 2 2 8
51.44 1.69 1.7764 5 0 3 4
52.01 2.21 1.7584 7 2 1 8
52.07 1.58 1.7564 3 3 3 8
52.22 1.67 1.7517 0 0 4 2
52.68 14.94 1.7375 1 0 4 4
52.73 24.96 1.7359 4 4 2 8
53.56 3.06 1.7111 1 1 4 8
53.59 9.44 1.7100 8 0 0 2
54.04 1.81 1.6970 2 0 4 4
54.46 1.01 1.6848 8 1 0 4
55.23 1.53 1.6631 4 3 3 8
55.30 7.51 1.6612 8 0 1 4
55.39 1.48 1.6586 4 5 1 8
55.65 1.88 1.6516 6 3 2 8
55.69 4.03 1.6504 0 2 4 4
55.89 2.37 1.6449 2 4 3 8
56.15 2.48 1.6381 8 1 1 8
56.26 2.94 1.6352 3 0 4 4
56.74 20.84 1.6223 5 4 2 8
58.07 5.08 1.5885 3 4 3 8
58.65 8.41 1.5741 8 2 1 8
59.27 1.96 1.5591 4 0 4 4
59.38 6.52 1.5565 2 6 1 8
59.57 4.48 1.5519 3 2 4 8
60.26 1.48 1.5358 1 3 4 8
61.47 4.20 1.5085 3 6 1 8
61.91 2.89 1.4988 7 0 3 4
62.06 5.03 1.4955 7 4 1 8
62.47 2.89 1.4866 0 6 2 4
62.48 3.75 1.4864 4 2 4 8
62.67 1.28 1.4823 8 3 1 8
62.78 9.07 1.4801 4 6 0 4
62.88 9.23 1.4779 1 6 2 8
63.01 1.72 1.4753 5 0 4 4
63.41 1.78 1.4670 8 2 2 8
64.02 1.87 1.4545 5 5 2 8
64.33 1.32 1.4481 4 6 1 8
64.70 1.33 1.4407 5 4 3 8
65.05 11.96 1.4339 7 2 3 8
65.25 1.81 1.4300 3 5 3 8
65.38 1.52 1.4274 0 4 4 4
65.78 13.28 1.4197 1 4 4 8
66.12 5.63 1.4132 5 2 4 8
66.58 8.48 1.4046 8 4 0 4
66.97 1.59 1.3973 2 4 4 8
67.13 1.04 1.3944 9 0 2 4
68.08 6.98 1.3772 8 4 1 8
68.32 1.03 1.3729 2 0 5 4
68.39 1.22 1.3717 6 5 2 8
68.93 2.78 1.3623 3 4 4 8
69.35 1.03 1.3550 10 1 0 4
70.14 4.64 1.3417 9 2 2 8
70.43 2.54 1.3369 6 2 4 8
70.44 2.13 1.3367 1 6 3 8
71.32 3.43 1.3225 2 2 5 8
71.59 1.67 1.3181 10 2 0 4
71.64 1.90 1.3173 4 4 4 8
72.17 2.92 1.3089 6 6 1 8
72.34 1.21 1.3063 5 6 2 8
72.46 1.84 1.3044 7 0 4 4
72.54 1.25 1.3031 1 5 4 8
73.04 1.21 1.2954 10 2 1 8
73.50 3.11 1.2884 3 6 3 8
74.04 2.95 1.2803 7 4 3 8
74.48 1.79 1.2740 9 0 3 4
74.75 1.11 1.2700 8 5 1 8
75.06 1.76 1.2656 5 4 4 8
75.87 1.83 1.2540 4 2 5 8
77.52 5.49 1.2313 0 8 0 2
78.89 1.14 1.2134 9 4 2 8
80.02 1.18 1.1991 2 4 5 8
80.12 1.04 1.1979 0 6 4 4
80.90 2.39 1.1883 11 2 1 8
82.62 1.25 1.1678 0 0 6 2
82.63 2.44 1.1677 8 6 1 8
83.43 1.34 1.1586 3 6 4 8
83.43 1.27 1.1585 4 8 0 4
83.52 1.42 1.1575 1 8 2 8
83.95 2.21 1.1527 7 4 4 8
84.37 1.03 1.1480 9 0 4 4
84.82 1.32 1.1430 4 8 1 8
85.07 1.53 1.1403 9 1 4 8
85.44 2.67 1.1363 0 2 6 4
85.89 2.26 1.1315 9 4 3 8
85.98 1.29 1.1306 4 6 4 8
86.44 3.66 1.1257 3 8 2 8
86.49 3.03 1.1252 12 0 1 4
87.71 1.06 1.1127 5 4 5 8
88.29 4.37 1.1069 7 6 3 8
88.46 3.18 1.1052 4 0 6 4
88.99 4.01 1.1000 4 8 2 8
89.22 1.99 1.0977 11 0 3 4
89.26 2.15 1.0973 5 6 4 8
89.30 2.00 1.0969 12 2 1 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.