Chlorothionite
Giacovazzo C, Scandale E, Scordari F
Zeitschrift fur Kristallographie 144 (1976) 226-237
The crystal structure of chlorotionite, CuK2Cl2SO4
Locality: 1906 eruption of Vesuvius, Italy
_database_code_amcsd 0010784
CELL PARAMETERS: 7.7320 6.0780 16.2920 90.000 90.000 90.000
SPACE GROUP: Pnma
X-RAY WAVELENGTH: 1.541838
Cell Volume: 765.644
Density (g/cm3): 2.678
MAX. ABS. INTENSITY / VOLUME**2: 12.83312644
RIR: 1.560
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
10.86 11.25 8.1460 0 0 2 2
12.67 71.01 6.9853 1 0 1 4
15.56 34.14 5.6946 0 1 1 4
15.80 1.21 5.6080 1 0 2 4
19.36 50.70 4.5852 1 1 1 8
21.82 16.20 4.0730 0 0 4 2
21.95 13.37 4.0497 0 1 3 4
23.65 34.19 3.7615 2 0 1 4
27.34 47.64 3.2620 2 1 0 4
28.34 42.90 3.1495 2 0 3 4
29.39 100.00 3.0390 0 2 0 2
29.50 15.18 3.0283 2 1 2 8
29.75 25.49 3.0027 1 0 5 4
31.14 5.41 2.8718 0 1 5 4
31.42 19.77 2.8473 0 2 2 4
32.12 13.22 2.7867 1 2 1 8
32.99 5.22 2.7153 0 0 6 2
33.28 26.87 2.6921 1 1 5 8
35.02 2.67 2.5619 1 0 6 4
35.25 7.39 2.5461 2 1 4 8
36.05 37.40 2.4915 2 0 5 4
38.12 3.62 2.3608 1 1 6 8
41.28 59.75 2.1869 2 2 3 8
41.46 3.00 2.1779 3 0 4 4
42.31 15.51 2.1359 1 2 5 8
43.24 1.78 2.0924 1 1 7 8
44.17 2.74 2.0503 3 1 4 8
44.49 1.08 2.0365 0 0 8 2
44.84 7.07 2.0214 3 0 5 4
45.49 5.47 1.9940 2 0 7 4
46.09 5.62 1.9693 1 0 8 4
46.35 2.05 1.9588 1 2 6 8
46.68 3.74 1.9458 1 3 1 8
47.01 17.85 1.9330 4 0 0 2
47.17 11.76 1.9267 2 2 5 8
47.40 12.66 1.9181 3 1 5 8
47.92 4.14 1.8982 0 3 3 4
48.60 9.91 1.8735 1 1 8 8
48.71 6.03 1.8693 3 0 6 4
50.88 3.30 1.7945 2 3 0 4
51.12 8.70 1.7867 3 1 6 8
51.63 2.78 1.7703 3 2 4 8
52.39 5.40 1.7463 4 0 4 4
52.45 1.06 1.7445 4 1 3 8
53.24 2.00 1.7205 0 3 5 4
54.22 4.44 1.6918 0 2 8 4
54.52 6.40 1.6831 3 2 5 8
54.65 4.60 1.6795 1 3 5 8
55.09 14.18 1.6671 2 2 7 8
55.29 1.16 1.6616 3 1 7 8
55.61 5.85 1.6527 1 2 8 8
56.41 10.96 1.6310 4 2 0 4
56.48 1.22 1.6292 0 0 10 2
57.64 4.20 1.5993 4 2 2 8
57.69 3.21 1.5979 3 0 8 4
57.92 6.01 1.5922 3 2 6 8
58.62 1.91 1.5747 4 0 6 4
59.85 2.68 1.5454 3 1 8 8
60.10 1.71 1.5395 5 0 1 4
60.98 9.55 1.5195 0 4 0 2
61.21 1.68 1.5141 4 2 4 8
62.21 1.87 1.4924 5 1 1 8
62.56 1.28 1.4848 1 4 1 8
63.87 3.31 1.4575 2 1 10 8
64.01 2.27 1.4546 1 0 11 4
65.20 3.53 1.4310 3 3 5 8
66.04 3.14 1.4147 1 1 11 8
66.06 3.92 1.4143 3 2 8 8
66.18 2.93 1.4121 1 3 8 8
66.35 1.14 1.4089 2 4 1 8
66.72 1.15 1.4020 4 0 8 4
66.98 1.56 1.3971 5 0 5 4
68.27 2.76 1.3739 3 3 6 8
68.30 2.06 1.3733 5 2 1 8
68.57 5.54 1.3685 2 4 3 8
68.97 1.86 1.3615 5 1 5 8
69.20 1.25 1.3577 0 0 12 2
69.31 2.45 1.3558 1 4 5 8
69.39 1.18 1.3544 4 3 3 8
71.97 2.57 1.3121 1 2 11 8
72.92 3.87 1.2973 2 4 5 8
74.54 3.66 1.2731 4 2 8 8
74.79 1.97 1.2693 5 2 5 8
75.40 3.13 1.2606 6 1 0 4
75.83 1.11 1.2546 3 3 8 8
75.88 1.07 1.2538 6 0 3 4
76.91 3.04 1.2396 0 2 12 4
78.80 1.58 1.2146 3 4 5 8
79.27 2.25 1.2086 2 4 7 8
79.45 2.61 1.2062 2 3 10 8
79.71 1.25 1.2030 1 4 8 8
80.38 3.89 1.1946 4 4 0 4
81.45 1.26 1.1816 1 3 11 8
81.66 1.67 1.1791 3 4 6 8
83.33 1.26 1.1596 2 5 0 4
83.38 3.03 1.1591 6 2 3 8
88.87 1.26 1.1011 3 4 8 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.