Cl5 D2 Fe K2 O
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 1006100
_database_code_amcsd 0013273
CELL PARAMETERS: 13.4653 9.6132 6.9836 90.000 90.000 90.000
SPACE GROUP: Pnma
X-RAY WAVELENGTH: 1.541838
Cell Volume: 903.989
Density (g/cm3): 2.419
MAX. ABS. INTENSITY / VOLUME**2: 7.578826526
RIR: 1.020
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
13.15 1.03 6.7326 2 0 0 2
15.68 100.00 5.6501 0 1 1 4
16.07 84.48 5.5147 2 1 0 4
17.02 6.57 5.2100 1 1 1 8
18.30 36.10 4.8470 2 0 1 4
18.46 7.19 4.8066 0 2 0 2
20.52 1.63 4.3280 2 1 1 8
23.42 1.96 3.7986 1 2 1 8
25.34 1.06 3.5145 3 1 1 8
25.51 3.18 3.4918 0 0 2 2
26.11 20.69 3.4130 2 2 1 8
26.37 13.80 3.3800 1 0 2 4
26.48 13.05 3.3663 4 0 0 2
29.46 29.10 3.0324 4 0 1 4
30.10 44.15 2.9692 3 2 1 8
30.30 10.53 2.9501 2 1 2 8
30.70 11.44 2.9124 0 3 1 4
30.91 17.58 2.8934 2 3 0 4
30.92 9.21 2.8919 4 1 1 8
31.67 28.62 2.8250 0 2 2 4
32.38 97.52 2.7648 1 2 2 8
32.47 96.90 2.7573 4 2 0 4
32.49 76.46 2.7560 3 0 2 4
33.83 1.11 2.6493 3 1 2 8
34.43 3.22 2.6050 2 2 2 8
34.99 5.91 2.5647 4 2 1 8
35.73 1.83 2.5127 5 0 1 4
36.98 4.26 2.4310 5 1 1 8
37.10 54.25 2.4235 4 0 2 4
37.42 95.70 2.4033 0 4 0 2
38.30 2.08 2.3500 4 1 2 8
39.28 5.12 2.2938 1 0 3 4
40.43 1.30 2.2312 1 1 3 8
40.49 3.74 2.2279 2 3 2 8
40.98 1.80 2.2025 4 3 1 8
41.02 12.89 2.2001 2 0 3 4
41.74 7.74 2.1640 4 2 2 8
41.96 7.01 2.1532 2 4 1 8
42.13 1.31 2.1446 2 1 3 8
42.30 5.72 2.1366 6 0 1 4
42.39 28.29 2.1325 5 0 2 4
43.30 1.06 2.0895 3 3 2 8
43.38 1.34 2.0857 6 1 1 8
43.47 10.31 2.0819 5 1 2 8
43.73 3.86 2.0702 1 2 3 8
44.86 9.36 2.0203 3 1 3 8
45.84 1.51 1.9797 0 4 2 4
45.89 1.11 1.9773 5 3 1 8
46.36 4.62 1.9587 1 4 2 8
46.42 5.20 1.9560 4 4 0 4
46.51 7.38 1.9524 6 2 1 8
47.92 4.60 1.8985 3 2 3 8
48.20 3.40 1.8879 6 0 2 4
48.32 10.92 1.8835 4 4 1 8
48.48 5.69 1.8778 4 1 3 8
49.13 5.87 1.8545 7 0 1 4
49.15 5.91 1.8537 0 5 1 4
49.18 5.40 1.8525 6 1 2 8
49.29 3.59 1.8487 2 5 0 4
50.38 33.79 1.8113 3 4 2 8
51.47 5.06 1.7753 5 3 2 8
51.92 4.55 1.7611 5 0 3 4
52.41 1.34 1.7459 0 0 4 2
52.70 1.19 1.7368 5 4 1 8
52.71 3.82 1.7367 3 3 3 8
52.85 1.27 1.7323 5 1 3 8
52.88 12.96 1.7314 1 0 4 4
53.71 28.80 1.7065 4 4 2 8
53.80 5.22 1.7040 1 1 4 8
54.28 4.75 1.6900 2 0 4 4
54.52 10.95 1.6832 8 0 0 2
55.37 3.67 1.6593 1 4 3 8
55.42 1.89 1.6579 8 1 0 4
55.94 3.64 1.6436 4 3 3 8
56.04 2.20 1.6410 0 2 4 4
56.22 5.49 1.6363 8 0 1 4
56.31 1.61 1.6339 2 5 2 8
56.56 3.35 1.6271 3 0 4 4
56.58 3.25 1.6266 6 3 2 8
56.69 2.41 1.6238 4 5 1 8
56.73 8.18 1.6228 2 4 3 8
57.10 5.72 1.6131 8 1 1 8
57.74 4.17 1.5968 6 4 1 8
57.80 18.24 1.5951 5 4 2 8
57.83 3.24 1.5943 2 2 4 8
58.01 1.26 1.5900 7 2 2 8
58.06 1.53 1.5886 8 2 0 4
59.69 6.37 1.5490 8 2 1 8
60.03 2.68 1.5412 3 2 4 8
60.45 1.01 1.5315 6 2 3 8
60.81 2.96 1.5233 1 3 4 8
60.90 1.40 1.5212 2 6 1 8
62.57 2.54 1.4846 6 4 2 8
63.02 3.65 1.4751 4 2 4 8
63.03 3.68 1.4749 3 6 1 8
63.35 4.54 1.4682 7 4 1 8
63.60 1.40 1.4629 9 0 1 4
63.88 3.13 1.4573 8 3 1 8
63.93 1.94 1.4562 0 6 2 4
64.35 7.95 1.4478 1 6 2 8
64.40 7.44 1.4467 4 6 0 4
64.42 1.00 1.4463 9 1 1 8
65.35 2.68 1.4280 5 5 2 8
65.73 3.73 1.4205 5 4 3 8
65.92 5.83 1.4170 7 2 3 8
66.16 1.10 1.4125 0 4 4 4
66.42 2.90 1.4076 3 5 3 8
66.57 11.11 1.4048 1 4 4 8
66.75 1.25 1.4013 5 2 4 8
67.41 1.98 1.3893 1 0 5 4
67.79 4.02 1.3824 2 4 4 8
68.00 9.59 1.3787 8 4 0 4
69.25 1.55 1.3567 4 5 3 8
69.41 1.72 1.3540 2 1 5 8
69.50 4.91 1.3526 8 4 1 8
69.80 3.15 1.3474 3 4 4 8
69.82 1.81 1.3471 6 5 2 8
69.91 1.23 1.3456 2 7 0 4
70.45 1.15 1.3365 4 6 2 8
70.64 1.48 1.3335 10 1 0 4
71.18 4.40 1.3246 6 2 4 8
71.33 2.02 1.3222 9 2 2 8
71.76 1.07 1.3154 2 2 5 8
71.96 1.20 1.3122 8 2 3 8
73.21 3.06 1.2928 7 0 4 4
73.62 1.79 1.2866 1 5 4 8
73.94 1.30 1.2818 6 6 1 8
75.54 3.36 1.2586 9 0 3 4
75.60 1.26 1.2578 2 3 5 8
76.18 1.45 1.2496 9 4 1 8
76.44 2.37 1.2461 8 5 1 8
76.45 1.15 1.2460 4 2 5 8
76.78 1.16 1.2414 10 3 0 4
76.89 3.12 1.2399 5 0 5 4
79.73 2.16 1.2028 1 4 5 8
79.82 6.23 1.2017 0 8 0 2
82.48 2.45 1.1695 11 2 1 8
84.66 1.80 1.1448 8 6 1 8
85.24 3.73 1.1385 7 4 4 8
85.92 1.12 1.1312 0 2 6 4
86.21 2.48 1.1282 9 1 4 8
86.30 1.03 1.1273 1 2 6 8
86.75 1.71 1.1225 7 1 5 8
87.27 1.32 1.1171 4 8 1 8
87.49 4.28 1.1150 9 4 3 8
87.59 1.16 1.1140 4 6 4 8
88.19 2.79 1.1079 12 0 1 4
88.80 4.13 1.1019 5 4 5 8
88.83 4.74 1.1015 3 8 2 8
88.98 1.84 1.1000 4 0 6 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.