Parnauite
Mills S J, Kampf A R, McDonald A M, Bindi L, Christy A G, Kolitsch U, Favreau G
European Journal of Mineralogy 25 (2013) 693-704
The crystal structure of parnauite: a copper arsenate-sulphate
with translational disorder of structural rods
Note: theoretical data
_database_code_amcsd 0020149
CELL PARAMETERS: 6.0200 13.9900 15.4200 90.000 90.000 90.010
SPACE GROUP: P2_1
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1298.669
Density (g/cm3): 3.175
MAX. ABS. INTENSITY / VOLUME**2: 73.06425477
RIR: 7.493
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
6.32 100.00 13.9900 0 1 0 2
8.53 43.99 10.3612 0 1 1 2
12.65 1.72 6.9950 0 2 0 2
13.11 1.95 6.7525 0 1 2 2
13.90 7.97 6.3702 0 2 1 2
15.80 1.14 5.6078 1 0 1 2
17.03 1.14 5.2055 1 -1 1 2
17.04 2.58 5.2049 1 1 1 2
17.12 1.31 5.1806 0 2 2 2
18.39 1.48 4.8247 0 1 3 2
19.89 5.30 4.4637 0 3 1 2
20.29 1.58 4.3757 -1 2 1 2
20.30 2.95 4.3750 1 2 1 2
22.28 11.79 3.9902 0 3 2 2
23.94 2.12 3.7165 0 1 4 2
24.14 1.15 3.6869 -1 3 0 2
24.14 1.86 3.6863 1 3 0 2
25.80 1.95 3.4537 0 3 3 2
26.40 1.38 3.3762 0 2 4 2
28.01 1.06 3.1851 0 4 2 2
28.22 1.49 3.1625 1 -1 4 2
29.54 1.21 3.0239 1 4 0 2
29.82 1.64 2.9959 -1 3 3 2
29.83 1.12 2.9956 1 3 3 2
30.08 5.94 2.9712 0 3 4 2
30.11 2.01 2.9678 -1 4 1 2
30.35 2.22 2.9448 -1 2 4 2
30.93 1.34 2.8916 0 4 3 2
31.71 4.85 2.8219 0 2 5 2
31.99 2.16 2.7980 0 5 0 2
32.52 1.20 2.7530 0 5 1 2
34.09 1.07 2.6302 0 5 2 2
34.41 1.15 2.6066 -1 4 3 2
34.53 16.05 2.5974 2 0 3 2
34.88 5.15 2.5724 0 3 5 2
34.91 1.69 2.5700 0 0 6 1
35.14 1.68 2.5538 2 -1 3 2
35.14 1.75 2.5537 2 1 3 2
37.81 1.09 2.3793 1 4 4 2
38.49 1.10 2.3391 2 -1 4 2
38.49 1.08 2.3390 2 1 4 2
39.72 1.07 2.2693 -2 3 3 2
39.72 1.08 2.2690 2 3 3 2
42.58 1.25 2.1234 0 6 3 2
46.43 1.73 1.9556 -2 3 5 2
46.44 1.75 1.9554 2 3 5 2
50.43 1.01 1.8097 -2 5 4 2
50.44 1.05 1.8094 2 5 4 2
55.30 1.46 1.6611 -2 3 7 2
55.31 1.45 1.6610 2 3 7 2
55.51 1.09 1.6556 0 8 3 2
58.31 1.37 1.5823 -2 6 5 2
58.32 1.38 1.5821 2 6 5 2
58.36 1.60 1.5812 2 -2 8 2
58.36 1.61 1.5812 2 2 8 2
60.38 1.69 1.5330 -2 3 8 2
60.38 1.66 1.5330 2 3 8 2
61.63 3.18 1.5050 4 0 0 2
62.36 1.61 1.4890 2 0 9 2
62.41 1.15 1.4879 0 9 3 2
62.52 1.17 1.4856 0 6 8 2
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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.