Brandtite
Herwig S, Hawthorne F C
The Canadian Mineralogist 44 (2006) 1181-1196
The topology of hydrogen bonding in brandtite, collinsite and fairfieldite
Locality: Harstig mine, Harstigen, Sweden
_database_code_amcsd 0006117
CELL PARAMETERS: 5.8770 12.9570 5.6750 90.000 108.000 90.000
SPACE GROUP: P2_1/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 410.991
Density (g/cm3): 3.733
MAX. ABS. INTENSITY / VOLUME**2: 21.36222185
RIR: 1.863
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
13.67 20.00 6.4785 0 2 0 2
17.28 27.26 5.1322 1 1 0 4
17.80 12.07 4.9823 0 1 1 4
20.21 9.00 4.3934 -1 1 1 4
20.99 8.21 4.2320 1 2 0 4
23.48 15.06 3.7884 -1 2 1 4
26.07 26.89 3.4176 1 3 0 4
26.43 51.08 3.3722 0 3 1 4
27.16 20.67 3.2830 1 1 1 4
27.54 38.43 3.2392 0 4 0 2
28.14 35.77 3.1709 -1 3 1 4
29.72 100.00 3.0062 1 2 1 4
31.93 8.00 2.8026 1 4 0 4
31.94 38.15 2.8022 -2 1 1 4
32.03 2.55 2.7947 2 0 0 2
32.07 44.99 2.7913 -1 0 2 2
32.82 6.55 2.7287 -1 1 2 4
33.20 6.62 2.6986 0 0 2 2
33.93 8.57 2.6419 0 1 2 4
34.17 33.69 2.6242 -2 2 1 4
38.36 6.74 2.3463 2 3 0 4
38.40 1.15 2.3443 -1 3 2 4
38.54 6.07 2.3361 0 5 1 4
39.20 1.07 2.2980 -2 1 2 4
39.78 20.08 2.2659 -1 5 1 4
41.09 2.29 2.1967 -2 2 2 4
41.30 2.57 2.1858 2 1 1 4
41.41 3.25 2.1806 1 0 2 2
42.02 1.31 2.1504 1 1 2 4
42.06 2.05 2.1482 -2 4 1 4
42.73 9.49 2.1160 2 4 0 4
42.76 27.51 2.1145 -1 4 2 4
43.11 3.99 2.0981 2 2 1 4
43.80 5.60 2.0667 1 2 2 4
45.00 4.81 2.0144 1 6 0 4
46.01 1.54 1.9728 2 3 1 4
46.66 4.35 1.9466 1 3 2 4
46.94 1.28 1.9356 -3 1 1 4
47.26 4.31 1.9234 -2 5 1 4
47.87 1.40 1.9002 2 5 0 4
47.90 1.33 1.8991 -1 5 2 4
48.03 9.80 1.8942 -2 4 2 4
48.59 6.58 1.8739 -3 2 1 4
48.72 5.10 1.8692 0 5 2 4
49.42 8.44 1.8442 3 1 0 4
50.07 22.91 1.8219 1 6 1 4
50.25 4.11 1.8157 -1 2 3 4
50.45 1.46 1.8089 1 4 2 4
50.70 1.33 1.8006 -3 1 2 4
51.00 1.25 1.7905 3 2 0 4
51.24 1.23 1.7830 -3 3 1 4
52.26 1.20 1.7506 -3 2 2 4
52.81 21.04 1.7335 0 2 3 4
52.84 5.60 1.7326 -1 3 3 4
53.07 12.43 1.7256 -2 6 1 4
53.25 2.24 1.7203 -2 2 3 4
53.57 12.30 1.7107 3 3 0 4
53.63 1.35 1.7088 2 6 0 4
54.04 1.79 1.6969 2 0 2 2
54.42 2.71 1.6861 0 6 2 4
54.54 2.79 1.6825 2 1 2 4
54.78 1.22 1.6758 -3 3 2 4
55.04 1.29 1.6685 1 5 2 4
55.32 1.87 1.6608 0 3 3 4
55.74 3.65 1.6492 -2 3 3 4
56.85 6.53 1.6196 0 8 0 2
57.02 5.85 1.6150 3 4 0 4
57.55 3.10 1.6016 3 1 1 4
58.18 10.45 1.5855 -3 4 2 4
58.43 1.36 1.5793 2 3 2 4
58.98 3.64 1.5661 3 2 1 4
59.03 3.02 1.5648 1 1 3 4
59.42 3.63 1.5556 -2 7 1 4
59.84 5.26 1.5456 -3 1 3 4
59.94 3.04 1.5432 2 7 0 4
59.97 2.24 1.5426 -1 7 2 4
60.61 2.06 1.5278 -1 5 3 4
60.67 3.42 1.5264 0 7 2 4
61.28 1.86 1.5127 3 5 0 4
61.71 12.56 1.5031 2 4 2 4
63.28 2.31 1.4697 -2 5 3 4
64.21 1.88 1.4505 -2 7 2 4
64.22 2.01 1.4504 -3 6 1 4
65.20 6.77 1.4310 -4 2 1 4
65.43 4.42 1.4264 -4 1 2 4
65.71 1.94 1.4210 2 7 1 4
65.78 3.35 1.4196 2 5 2 4
66.02 2.80 1.4152 -1 0 4 2
66.23 2.49 1.4112 1 7 2 4
66.46 1.13 1.4068 -1 1 4 4
66.78 10.37 1.4009 -1 8 2 4
66.97 2.67 1.3973 4 0 0 2
67.06 2.89 1.3956 -2 0 4 2
67.50 1.49 1.3876 -2 1 4 4
67.80 6.59 1.3823 0 6 3 4
68.17 3.01 1.3755 -2 6 3 4
68.95 2.39 1.3619 -4 3 2 4
69.95 1.91 1.3448 -1 3 4 4
70.12 1.38 1.3421 0 1 4 4
70.58 2.98 1.3344 -3 5 3 4
70.89 1.43 1.3294 2 1 3 4
70.97 3.37 1.3280 -2 3 4 4
71.14 2.17 1.3253 1 9 1 4
71.90 1.91 1.3131 3 7 0 4
73.21 2.27 1.2928 3 6 1 4
73.27 1.84 1.2920 -4 2 3 4
73.61 4.17 1.2869 -2 9 1 4
75.76 1.28 1.2555 4 1 1 4
75.77 2.39 1.2554 -4 5 2 4
76.10 1.84 1.2508 2 7 2 4
77.78 1.63 1.2279 1 0 4 2
78.87 1.64 1.2136 -4 6 1 4
79.09 3.60 1.2109 4 3 1 4
79.12 4.99 1.2105 1 10 1 4
79.20 1.34 1.2094 -3 8 2 4
79.35 1.42 1.2075 2 9 1 4
79.42 2.51 1.2067 -3 4 4 4
80.64 2.37 1.1914 -3 7 3 4
81.51 1.69 1.1809 -2 10 1 4
82.30 2.25 1.1716 2 8 2 4
84.35 4.89 1.1482 1 4 4 4
85.18 1.10 1.1392 3 9 0 4
85.64 2.70 1.1342 4 5 1 4
85.65 2.44 1.1341 -4 7 2 4
86.21 1.07 1.1281 -5 -3 1 4
86.48 1.25 1.1253 -4 6 3 4
87.20 1.42 1.1179 5 0 0 2
87.54 1.69 1.1144 3 2 3 4
87.55 1.48 1.1144 -2 7 4 4
88.10 1.64 1.1088 4 0 2 2
88.94 1.99 1.1005 -5 2 3 4
89.16 1.97 1.0984 -4 4 4 4
89.57 1.82 1.0943 3 3 3 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.