Natrochalcite
Chevrier G, Giester G, Zemann J
Zeitschrift fur Kristallographie 206 (1993) 7-14
Neutron refinements of NaCu2(H3O2)(SO4)2 and RbCu2(H3O2)(SeO4)2:
Variation of the hydrogen bond system in the natrochalcite-type series
Locality: synthetic
_database_code_amcsd 0011040
CELL PARAMETERS: 8.8090 6.1870 7.5090 90.000 118.740 90.000
SPACE GROUP: C2/m
X-RAY WAVELENGTH: 1.541838
Cell Volume: 358.835
Density (g/cm3): 3.491
MAX. ABS. INTENSITY / VOLUME**2: 15.80205132
RIR: 1.474
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
13.45 100.00 6.5840 0 0 1 2
18.37 31.24 4.8288 1 1 0 4
19.25 5.20 4.6105 -1 1 1 4
20.31 21.66 4.3728 -2 0 1 2
23.03 20.80 3.8619 2 0 0 2
25.77 88.46 3.4569 -2 0 2 2
25.96 13.91 3.4327 1 1 1 4
27.09 7.15 3.2920 0 0 2 2
27.83 48.72 3.2052 -1 1 2 4
31.96 67.14 2.7998 0 2 1 4
32.01 60.83 2.7957 2 0 1 2
33.94 22.33 2.6415 -3 1 1 4
35.43 10.58 2.5335 -3 1 2 4
35.55 77.10 2.5254 -2 2 1 4
36.06 8.10 2.4906 -2 0 3 2
37.24 7.74 2.4144 2 2 0 4
37.40 9.55 2.4044 1 1 2 4
37.85 1.24 2.3770 3 1 0 4
39.07 41.45 2.3052 -2 2 2 4
39.99 10.16 2.2543 0 2 2 4
41.13 6.46 2.1947 0 0 3 2
41.29 2.07 2.1864 -4 0 2 2
41.83 1.51 2.1596 -3 1 3 4
41.95 3.00 2.1535 -4 0 1 2
43.89 19.91 2.0630 2 0 2 2
45.24 1.35 2.0045 -4 0 3 2
46.83 17.31 1.9400 -2 2 3 4
47.06 10.30 1.9310 4 0 0 2
49.40 2.46 1.8447 1 3 1 4
50.51 1.03 1.8068 -1 3 2 4
50.59 6.18 1.8041 1 1 3 4
51.02 12.12 1.7900 0 2 3 4
51.16 6.94 1.7855 -4 2 2 4
51.72 10.87 1.7674 -4 2 1 4
52.98 16.87 1.7284 -4 0 4 2
53.38 12.76 1.7163 2 2 2 4
54.46 6.49 1.6847 -3 3 1 4
54.55 28.16 1.6822 -4 2 3 4
55.68 2.82 1.6509 4 0 1 2
55.86 12.57 1.6460 0 0 4 2
55.86 1.07 1.6459 -5 1 3 4
56.15 15.14 1.6380 4 2 0 4
57.23 2.75 1.6096 3 3 0 4
57.41 1.69 1.6051 2 0 3 2
57.51 10.54 1.6026 -2 2 4 4
59.79 15.70 1.5467 0 4 0 2
61.45 3.13 1.5089 -4 2 4 4
61.59 3.26 1.5058 0 4 1 4
62.64 4.13 1.4830 -2 0 5 2
63.56 2.93 1.4638 -4 0 5 2
63.83 1.66 1.4582 -2 4 1 4
63.86 5.10 1.4576 -6 0 3 2
63.92 10.69 1.4565 4 2 1 4
64.08 3.68 1.4531 0 2 4 4
64.95 4.10 1.4359 2 4 0 4
65.52 10.37 1.4248 2 2 3 4
66.19 5.97 1.4119 -2 4 2 4
66.83 2.76 1.3999 0 4 2 4
66.94 4.85 1.3979 4 0 2 2
67.03 2.25 1.3961 -6 0 1 2
67.27 2.85 1.3918 1 3 3 4
67.45 1.95 1.3885 -6 0 4 2
69.45 10.54 1.3534 2 4 1 4
69.68 1.68 1.3495 -5 1 5 4
70.27 1.02 1.3395 -5 3 2 4
70.41 1.98 1.3373 -2 2 5 4
71.27 1.51 1.3231 -4 2 5 4
71.42 11.78 1.3207 -6 2 2 4
71.77 1.14 1.3152 -5 3 3 4
71.85 2.37 1.3140 -2 4 3 4
72.44 1.87 1.3047 2 0 4 2
72.74 1.38 1.3000 3 3 2 4
74.24 1.53 1.2774 -6 0 5 2
74.58 5.11 1.2725 -6 2 1 4
75.14 2.56 1.2643 0 4 3 4
75.25 1.85 1.2627 -4 4 2 4
75.71 2.07 1.2563 -4 4 1 4
77.06 3.27 1.2375 2 4 2 4
78.05 3.49 1.2244 -3 1 6 4
78.29 2.58 1.2212 -2 0 6 2
79.03 7.11 1.2116 0 2 5 4
79.37 1.70 1.2072 4 4 0 4
80.88 1.09 1.1885 6 2 0 4
81.53 3.59 1.1807 -6 2 5 4
82.01 2.04 1.1750 -1 5 2 4
83.72 2.55 1.1552 -4 2 6 4
83.96 4.69 1.1526 -4 4 4 4
83.98 1.19 1.1523 -6 0 6 2
84.33 1.41 1.1485 -5 3 5 4
85.49 2.23 1.1359 -2 2 6 4
86.30 3.68 1.1272 0 4 4 4
87.68 2.16 1.1130 4 2 3 4
89.43 1.09 1.0957 2 0 5 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.