Ungemachite
Groat L A, Hawthorne F C
American Mineralogist 71 (1986) 826-829
Structure of ungemachite, K3Na8Fe(SO4)6(NO3)2.6H2O, a mixed
sulfate-nitrate mineral
Note U(1,2) for N and Na1 have been altered to match symmetry constraints.
_database_code_amcsd 0001035
CELL PARAMETERS: 10.8980 10.8980 24.9890 90.000 90.000 120.000
SPACE GROUP: R-3
X-RAY WAVELENGTH: 1.541838
Cell Volume: 2570.237
Density (g/cm3): 2.259
MAX. ABS. INTENSITY / VOLUME**2: 9.412467156
RIR: 1.357
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
10.02 51.78 8.8292 1 0 1 6
10.62 69.63 8.3297 0 0 3 2
11.75 47.35 7.5309 0 1 2 6
16.27 2.92 5.4490 1 1 0 6
19.14 3.50 4.6370 0 2 1 6
19.47 2.33 4.5600 2 -1 3 6
19.47 6.53 4.5600 1 1 3 6
20.11 16.89 4.4146 2 0 2 6
21.33 8.92 4.1648 0 0 6 2
23.63 9.93 3.7655 0 2 4 6
25.22 1.83 3.5314 3 -1 1 6
25.22 1.62 3.5314 2 1 1 6
25.97 100.00 3.4312 2 0 5 6
25.98 12.05 3.4301 -1 3 2 6
25.98 7.53 3.4301 1 2 2 6
26.70 7.80 3.3390 1 0 7 6
26.95 1.43 3.3090 1 1 6 6
26.95 3.39 3.3090 2 -1 6 6
28.82 3.69 3.0978 3 -1 4 6
28.82 3.77 3.0978 2 1 4 6
30.14 12.80 2.9654 0 1 8 6
30.37 4.19 2.9431 0 3 3 6
30.80 5.04 2.9035 -1 3 5 6
30.80 5.06 2.9035 1 2 5 6
31.42 14.28 2.8470 0 2 7 6
32.87 66.89 2.7245 2 2 0 6
34.43 19.82 2.6047 2 0 8 6
34.45 3.64 2.6034 -1 4 1 6
34.45 3.27 2.6034 1 3 1 6
34.64 18.07 2.5895 4 -2 3 6
34.64 10.84 2.5895 2 2 3 6
35.58 5.36 2.5233 3 -1 7 6
35.58 1.10 2.5233 2 1 7 6
35.77 5.17 2.5103 0 3 6 6
36.31 1.08 2.4739 1 1 9 6
37.22 2.63 2.4157 1 0 10 6
37.24 2.79 2.4143 1 3 4 6
38.84 1.93 2.3185 0 4 2 6
39.53 1.25 2.2800 4 -2 6 6
40.86 1.56 2.2084 0 2 10 6
40.88 11.38 2.2073 4 0 4 6
42.36 5.65 2.1337 0 4 5 6
42.37 1.06 2.1334 -2 5 2 6
43.46 7.54 2.0824 0 0 12 2
43.47 3.20 2.0817 3 0 9 6
43.47 1.15 2.0817 0 3 9 6
43.96 1.03 2.0595 1 4 0 6
43.96 1.05 2.0595 4 1 0 6
44.25 1.27 2.0467 2 1 10 6
44.25 1.67 2.0467 3 -1 10 6
44.27 1.08 2.0458 3 2 4 6
45.36 2.20 1.9993 5 -1 3 6
46.71 1.81 1.9447 4 -2 9 6
46.71 1.87 1.9447 2 2 9 6
48.32 2.33 1.8836 1 0 13 6
48.34 25.15 1.8827 0 4 8 6
48.79 3.86 1.8664 5 0 2 6
49.22 1.93 1.8513 5 -2 7 6
49.22 1.61 1.8513 3 2 7 6
49.36 1.88 1.8461 4 1 6 6
49.36 2.71 1.8461 5 -1 6 6
51.32 4.46 1.7802 0 2 13 6
51.34 1.41 1.7795 2 3 8 6
51.34 1.57 1.7795 -2 5 8 6
51.36 1.19 1.7791 -2 6 1 6
54.24 2.10 1.6912 5 1 1 6
54.64 2.25 1.6798 4 2 5 6
54.64 3.57 1.6798 6 -2 5 6
55.03 1.43 1.6687 0 5 7 6
55.17 1.64 1.6649 6 -3 6 6
55.54 1.13 1.6545 4 -2 12 6
55.54 1.54 1.6545 2 2 12 6
55.56 1.46 1.6541 5 -1 9 6
57.76 2.15 1.5963 -1 3 14 6
57.76 2.94 1.5963 1 2 14 6
58.69 6.34 1.5730 6 0 0 6
58.93 1.04 1.5673 -2 5 11 6
59.70 4.31 1.5489 4 2 8 6
59.70 5.88 1.5489 6 -2 8 6
59.71 1.48 1.5486 4 3 1 6
59.71 1.05 1.5486 7 -3 1 6
59.84 4.16 1.5457 0 6 3 6
61.57 2.69 1.5062 0 5 10 6
62.30 3.03 1.4903 4 0 13 6
62.66 1.78 1.4827 0 2 16 6
65.70 1.26 1.4213 4 -2 15 6
65.70 1.77 1.4213 2 2 15 6
68.93 6.02 1.3622 4 4 0 6
69.98 1.10 1.3444 8 -4 3 6
72.26 3.04 1.3075 2 4 13 6
72.26 2.21 1.3075 -2 6 13 6
72.59 2.01 1.3023 4 0 16 6
75.02 1.97 1.2661 -2 8 5 6
75.02 1.63 1.2661 2 6 5 6
77.11 1.12 1.2370 4 -2 18 6
77.11 1.30 1.2370 2 2 18 6
79.38 1.77 1.2071 -2 8 8 6
79.38 2.77 1.2071 2 6 8 6
84.35 1.02 1.1482 8 0 5 6
84.76 1.14 1.1437 0 6 15 6
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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.