Sarmientite
Colombo F, Rius J, Vallcorba O, Pannunzio Miner E V
Mineralogical Magazine 78 (2014) 347-360
The crystal structure of sarmientite, Fe3+2(AsO4)(SO4)(OH)*5H2O,
solved ab initio from laboratory powder diffraction data
Locality: Santa Elena mine, San Juan Province, Argentina
_database_code_amcsd 0020437
CELL PARAMETERS: 6.5298 18.5228 9.6344 90.000 97.444 90.000
SPACE GROUP: P2_1/n
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1155.461
Density (g/cm3): 2.664
MAX. ABS. INTENSITY / VOLUME**2: 12.71809790
RIR: 1.554
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
9.55 100.00 9.2614 0 2 0 2
10.42 41.54 8.4905 0 1 1 4
13.32 5.69 6.6496 0 2 1 4
14.49 30.73 6.1121 1 1 0 4
16.23 1.93 5.4606 -1 1 1 4
16.71 8.51 5.3065 1 2 0 4
17.10 21.00 5.1855 0 3 1 4
17.51 4.47 5.0637 1 0 1 2
18.16 7.52 4.8845 1 1 1 4
18.24 19.27 4.8633 -1 2 1 4
19.17 44.46 4.6307 0 4 0 2
19.19 10.25 4.6253 0 1 2 4
19.87 14.29 4.4683 1 3 0 4
19.98 6.44 4.4430 1 2 1 4
20.93 92.55 4.2452 0 2 2 4
21.18 1.64 4.1939 -1 3 1 4
22.17 31.39 4.0090 -1 1 2 4
23.55 2.33 3.7780 0 3 2 4
23.70 8.94 3.7539 -1 2 2 4
24.75 1.93 3.5978 -1 4 1 4
25.02 6.24 3.5584 1 1 2 4
26.08 23.81 3.4172 1 4 1 4
26.81 35.45 3.3248 0 4 2 4
27.55 5.88 3.2374 2 0 0 2
27.74 3.92 3.2155 1 5 0 4
28.35 10.59 3.1480 -2 1 1 4
28.44 1.12 3.1384 0 1 3 4
28.55 18.10 3.1266 1 3 2 4
28.72 3.44 3.1085 -1 5 1 4
28.92 1.66 3.0871 0 6 0 2
29.22 52.45 3.0561 2 2 0 4
29.58 1.29 3.0199 -2 2 1 4
29.61 4.44 3.0165 -1 0 3 2
30.43 1.01 2.9376 0 6 1 4
30.54 1.05 2.9273 0 5 2 4
30.67 4.47 2.9153 2 1 1 4
31.20 4.88 2.8672 2 3 0 4
31.31 8.12 2.8573 -2 0 2 2
31.33 3.84 2.8549 1 4 2 4
31.53 4.89 2.8372 -2 3 1 4
31.69 4.84 2.8239 -2 1 2 4
32.12 2.84 2.7866 1 6 0 4
32.55 1.81 2.7506 -1 5 2 4
32.80 5.88 2.7303 -2 2 2 4
32.98 8.00 2.7161 -1 6 1 4
33.05 3.11 2.7103 -1 3 3 4
33.28 1.62 2.6924 1 1 3 4
33.65 17.78 2.6633 2 3 1 4
34.60 20.34 2.5928 0 6 2 4
34.62 13.22 2.5913 1 5 2 4
35.52 5.23 2.5275 -1 4 3 4
36.07 6.10 2.4902 1 3 3 4
36.69 1.36 2.4495 1 7 0 4
36.97 8.91 2.4317 -2 4 2 4
37.45 1.38 2.4012 -1 7 1 4
38.37 6.70 2.3462 1 4 3 4
38.43 1.74 2.3425 2 3 2 4
38.90 1.37 2.3154 0 8 0 2
38.91 1.23 2.3147 0 7 2 4
38.94 1.35 2.3126 0 2 4 4
39.01 1.05 2.3087 2 5 1 4
39.71 2.17 2.2700 -1 2 4 4
39.82 3.48 2.2638 -2 3 3 4
40.50 2.17 2.2275 0 3 4 4
40.64 2.86 2.2199 -2 6 1 4
40.71 3.58 2.2165 0 6 3 4
41.24 2.12 2.1893 -1 3 4 4
42.28 2.82 2.1376 1 1 4 4
42.36 3.34 2.1336 2 6 1 4
42.61 6.37 2.1220 2 1 3 4
43.14 1.67 2.0970 -2 6 2 4
43.16 1.06 2.0962 1 2 4 4
43.28 3.33 2.0903 2 5 2 4
43.43 1.88 2.0835 0 8 2 4
44.02 2.75 2.0572 -3 1 2 4
44.11 2.06 2.0532 -2 0 4 2
44.52 4.19 2.0352 0 7 3 4
44.55 7.02 2.0338 -2 5 3 4
44.59 2.40 2.0321 1 3 4 4
45.33 2.74 2.0005 3 2 1 4
45.85 9.64 1.9792 -1 5 4 4
46.06 1.34 1.9704 2 7 1 4
46.38 2.17 1.9577 2 6 2 4
46.54 1.23 1.9514 1 8 2 4
48.66 1.20 1.8712 0 2 5 4
48.81 4.93 1.8658 -3 2 3 4
48.95 2.34 1.8608 1 5 4 4
49.19 1.58 1.8523 0 10 0 2
49.53 1.40 1.8402 3 2 2 4
50.07 2.13 1.8218 2 8 1 4
50.17 3.13 1.8184 0 10 1 4
50.75 2.38 1.7989 -2 8 2 4
50.83 1.20 1.7964 3 3 2 4
50.84 1.23 1.7958 -2 5 4 4
51.03 1.05 1.7899 1 9 2 4
51.30 1.33 1.7808 1 10 0 4
51.60 1.44 1.7713 1 0 5 2
51.68 2.77 1.7688 3 6 0 4
51.78 2.65 1.7654 1 6 4 4
51.90 2.03 1.7616 -3 4 3 4
52.06 1.54 1.7566 2 6 3 4
52.16 5.12 1.7535 -1 7 4 4
53.03 4.26 1.7270 0 10 2 4
53.61 2.71 1.7096 -2 6 4 4
53.64 3.56 1.7086 2 8 2 4
53.85 1.10 1.7026 1 3 5 4
53.93 1.93 1.7001 -1 9 3 4
54.14 1.59 1.6940 -3 5 3 4
54.24 1.67 1.6910 -1 5 5 4
54.60 2.87 1.6809 3 1 3 4
54.90 1.19 1.6725 3 7 0 4
55.00 8.74 1.6696 1 7 4 4
55.26 3.86 1.6624 0 8 4 4
55.27 1.88 1.6621 2 7 3 4
55.60 2.76 1.6530 -3 3 4 4
56.65 6.36 1.6248 -4 1 1 4
56.75 1.18 1.6221 -2 7 4 4
58.05 2.09 1.5889 -1 1 6 4
58.17 1.60 1.5858 3 4 3 4
58.33 1.50 1.5819 -3 8 1 4
58.53 1.70 1.5770 -4 3 1 4
58.76 1.28 1.5714 -2 9 3 4
59.27 2.51 1.5591 0 9 4 4
59.34 1.52 1.5574 4 1 1 4
59.36 1.88 1.5568 -3 5 4 4
59.83 1.36 1.5458 -1 9 4 4
59.90 2.76 1.5441 -1 3 6 4
60.40 1.61 1.5325 -3 0 5 2
60.63 2.39 1.5272 1 11 2 4
61.17 1.60 1.5151 4 3 1 4
62.00 1.33 1.4968 1 1 6 4
62.22 1.32 1.4921 -3 9 1 4
62.44 2.14 1.4874 1 9 4 4
62.74 1.80 1.4810 3 6 3 4
62.76 2.71 1.4805 -4 3 3 4
63.51 1.26 1.4648 -1 5 6 4
63.54 1.13 1.4641 3 3 4 4
63.79 1.88 1.4591 1 3 6 4
64.74 2.01 1.4400 4 5 1 4
66.28 1.10 1.4102 -4 5 3 4
67.19 1.03 1.3933 2 12 0 4
67.28 1.04 1.3917 1 5 6 4
67.45 1.26 1.3885 -4 7 1 4
68.33 1.57 1.3727 -3 6 5 4
68.76 1.08 1.3652 -4 4 4 4
68.77 1.30 1.3651 -3 1 6 4
68.83 1.22 1.3639 3 8 3 4
69.17 1.05 1.3581 -2 12 2 4
70.69 2.08 1.3326 3 2 5 4
71.28 1.13 1.3231 0 14 0 2
74.21 1.79 1.2779 -3 8 5 4
78.71 1.03 1.2158 -3 7 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.