Ludlamite
Abrahams S C, Bernstein J L
Journal of Chemical Physics 44 (1966) 2223-2229
Crystal structure of paramagnetic ludlamite, Fe3(PO4)2*4(H2O), at 298 K
Sample: T = 298 K
_database_code_amcsd 0012981
CELL PARAMETERS: 10.5410 4.6460 9.3240 90.000 100.430 90.000
SPACE GROUP: P2_1/a
X-RAY WAVELENGTH: 1.541838
Cell Volume: 449.084
Density (g/cm3): 3.176
MAX. ABS. INTENSITY / VOLUME**2: 10.81903065
RIR: 1.109
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
9.65 2.32 9.1699 0 0 1 2
17.11 19.82 5.1834 2 0 0 2
18.07 84.33 4.9091 -2 0 1 2
19.36 22.55 4.5850 0 0 2 2
20.95 2.93 4.2397 1 1 0 4
21.16 13.81 4.1985 2 0 1 2
21.44 9.59 4.1444 0 1 1 4
22.44 100.00 3.9616 -1 1 1 4
23.46 5.95 3.7917 -2 0 2 2
23.76 42.49 3.7441 1 1 1 4
25.75 10.16 3.4597 2 1 0 4
26.41 2.50 3.3744 -2 1 1 4
27.33 1.98 3.2634 0 1 2 4
27.58 7.47 3.2345 -1 1 2 4
28.22 6.45 3.1619 2 0 2 2
28.66 7.74 3.1150 2 1 1 4
29.22 26.55 3.0566 0 0 3 2
29.74 61.96 3.0039 1 1 2 4
30.43 1.53 2.9376 -2 1 2 4
32.29 20.26 2.7727 3 1 0 4
32.35 65.91 2.7678 -3 1 1 4
34.21 1.28 2.6213 -4 0 1 2
34.31 12.15 2.6140 2 1 2 4
34.89 2.49 2.5714 -1 1 3 4
35.14 27.85 2.5536 0 1 3 4
35.15 16.80 2.5533 3 1 1 4
35.31 41.27 2.5417 -3 1 2 4
36.81 7.80 2.4417 -2 1 3 4
37.53 23.86 2.3967 1 1 3 4
37.74 18.74 2.3836 4 0 1 2
38.76 6.54 2.3230 0 2 0 2
39.83 9.20 2.2634 4 1 0 4
40.02 21.01 2.2529 -2 0 4 2
40.39 5.12 2.2333 3 1 2 4
40.63 3.82 2.2204 -3 1 3 4
41.41 1.55 2.1805 1 2 1 4
41.61 7.91 2.1703 -4 1 2 4
41.73 9.08 2.1646 2 1 3 4
42.63 5.89 2.1208 4 1 1 4
42.65 1.47 2.1199 2 2 0 4
43.08 8.37 2.0998 -2 2 1 4
43.46 14.12 2.0821 -1 1 4 4
44.05 5.12 2.0558 0 1 4 4
44.58 5.32 2.0326 2 2 1 4
44.70 1.94 2.0271 -2 1 4 4
45.33 4.04 2.0008 1 2 2 4
46.40 7.11 1.9569 1 1 4 4
47.18 14.91 1.9262 -3 2 1 4
47.66 1.61 1.9082 -3 1 4 4
48.05 11.66 1.8934 5 1 0 4
48.64 9.60 1.8721 2 2 2 4
48.92 12.01 1.8620 -5 1 2 4
49.08 8.32 1.8562 -1 2 3 4
49.27 11.38 1.8495 0 2 3 4
49.27 4.67 1.8494 3 2 1 4
49.40 3.41 1.8450 -3 2 2 4
50.83 1.57 1.7964 5 1 1 4
52.47 2.15 1.7438 -5 1 3 4
52.93 1.15 1.7298 4 2 0 4
53.00 11.53 1.7278 6 0 0 2
53.38 10.67 1.7163 3 2 2 4
53.73 1.31 1.7059 0 1 5 4
54.38 8.24 1.6872 -4 2 2 4
55.21 15.81 1.6636 4 2 1 4
55.60 3.91 1.6528 3 1 4 4
55.90 2.88 1.6447 -1 2 4 4
55.93 7.24 1.6440 -4 0 5 2
55.95 8.91 1.6434 -3 1 5 4
56.09 3.30 1.6396 1 1 5 4
56.14 17.88 1.6382 2 0 5 2
56.21 9.77 1.6364 -6 0 3 2
56.39 4.29 1.6317 0 2 4 4
56.94 12.00 1.6172 -2 2 4 4
57.80 3.51 1.5951 -5 1 4 4
58.00 5.65 1.5901 -4 2 3 4
58.37 7.43 1.5810 4 0 4 2
59.45 1.13 1.5549 -3 2 4 4
59.66 1.79 1.5498 -4 1 5 4
59.79 1.46 1.5468 5 2 0 4
60.53 2.82 1.5296 -5 2 2 4
60.59 1.21 1.5283 0 0 6 2
60.64 1.47 1.5270 0 3 1 4
61.75 4.63 1.5023 5 1 3 4
62.20 2.15 1.4926 5 2 1 4
62.60 1.91 1.4839 2 3 0 4
63.12 4.98 1.4730 -1 1 6 4
63.39 3.16 1.4672 0 3 2 4
63.65 1.72 1.4620 -5 2 3 4
64.03 1.17 1.4542 -1 2 5 4
64.09 2.02 1.4530 2 3 1 4
64.65 4.56 1.4418 -5 1 5 4
64.68 4.07 1.4412 1 3 2 4
65.06 6.37 1.4337 -2 3 2 4
65.09 1.00 1.4331 4 2 3 4
65.13 7.47 1.4322 -7 1 1 4
66.15 1.03 1.4126 -3 3 1 4
66.23 2.71 1.4110 7 1 0 4
66.44 1.88 1.4071 3 2 4 4
66.56 5.76 1.4050 1 1 6 4
66.75 2.04 1.4013 -3 2 5 4
66.85 1.11 1.3995 6 0 3 2
67.40 1.93 1.3894 -6 0 5 2
67.57 1.68 1.3864 6 2 0 4
67.68 2.51 1.3843 -1 3 3 4
67.72 1.12 1.3836 4 0 5 2
67.95 2.29 1.3796 -3 3 2 4
68.89 1.08 1.3629 -2 3 3 4
69.07 1.32 1.3598 7 1 1 4
69.36 2.81 1.3549 1 3 3 4
69.41 3.29 1.3541 5 1 4 4
70.32 3.14 1.3388 2 2 5 4
70.38 5.69 1.3378 -6 2 3 4
71.27 4.79 1.3232 3 3 2 4
71.69 2.01 1.3166 -8 0 1 2
72.06 1.19 1.3107 -8 0 2 2
72.20 2.73 1.3085 2 3 3 4
72.29 1.58 1.3070 4 2 4 4
72.33 3.33 1.3064 -7 1 4 4
72.82 3.12 1.2988 -5 1 6 4
73.01 1.17 1.2959 8 0 0 2
73.32 1.53 1.2911 -1 2 6 4
73.56 1.21 1.2876 7 1 2 4
74.16 2.37 1.2786 -1 1 7 4
74.29 1.10 1.2768 0 2 6 4
75.17 2.17 1.2639 -6 0 6 2
75.25 2.86 1.2627 -4 3 3 4
77.38 1.43 1.2333 -8 1 3 4
77.83 1.18 1.2273 -8 0 4 2
78.35 2.07 1.2204 5 1 5 4
79.25 1.00 1.2088 5 2 4 4
79.59 2.91 1.2045 7 1 3 4
80.61 1.36 1.1918 8 0 2 2
81.31 1.18 1.1832 0 3 5 4
81.61 1.62 1.1797 4 3 3 4
83.14 1.01 1.1618 -3 3 5 4
83.90 2.18 1.1532 -2 2 7 4
83.98 1.17 1.1523 0 4 1 4
84.36 2.68 1.1481 -1 4 1 4
85.26 1.95 1.1383 -3 2 7 4
86.29 1.10 1.1274 -8 1 5 4
86.37 2.20 1.1264 -4 0 8 2
86.69 2.86 1.1231 3 1 7 4
88.12 2.32 1.1086 5 3 3 4
88.77 1.32 1.1022 8 2 1 4
89.33 1.32 1.0966 -1 3 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.