Bartonite
Evans H T, Clark J R
American Mineralogist 66 (1981) 376-384
The crystal structure of bartonite, a potassium iron sulfide, and its
relationship to pentlandite and djerfisherite
_database_code_amcsd 0000824
CELL PARAMETERS: 10.4240 10.4240 20.6260 90.000 90.000 90.000
SPACE GROUP: I4/mmm
X-RAY WAVELENGTH: 1.541838
Cell Volume: 2241.216
Density (g/cm3): 3.293
MAX. ABS. INTENSITY / VOLUME**2: 22.52790516
RIR: 2.227
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
8.57 20.98 10.3130 0 0 2 2
9.51 68.44 9.3034 1 0 1 8
12.01 14.10 7.3709 1 1 0 4
14.77 60.86 5.9967 1 1 2 8
15.44 7.69 5.7394 1 0 3 8
23.19 5.64 3.8358 1 0 5 8
25.92 3.99 3.4377 0 0 6 2
26.01 14.83 3.4264 3 0 1 8
27.05 9.66 3.2964 3 1 0 8
28.43 35.67 3.1399 3 1 2 16
28.65 15.34 3.1155 1 1 6 8
28.79 5.54 3.1011 3 0 3 8
28.90 1.57 3.0893 2 1 5 16
29.80 100.00 2.9984 2 2 4 8
31.17 3.00 2.8697 2 0 6 8
31.24 3.74 2.8631 3 2 1 16
31.55 8.84 2.8355 1 0 7 8
35.53 3.93 2.5266 4 0 2 8
35.78 6.64 2.5094 4 1 1 16
37.63 19.52 2.3901 3 3 2 8
37.81 44.24 2.3793 3 1 6 16
40.12 2.13 2.2473 3 0 7 8
40.29 1.21 2.2383 1 0 9 8
41.91 1.53 2.1556 4 1 5 16
43.58 3.25 2.0767 4 0 6 8
43.64 2.49 2.0742 5 0 1 8
43.64 6.20 2.0742 4 3 1 16
43.87 1.75 2.0636 3 2 7 16
44.62 2.50 2.0308 3 1 8 16
45.22 9.92 2.0053 5 1 2 16
45.37 3.85 1.9989 3 3 6 8
45.67 4.83 1.9863 1 1 10 8
47.11 1.25 1.9292 4 2 6 16
47.16 1.27 1.9272 5 2 1 16
47.38 3.55 1.9187 4 1 7 16
47.53 3.39 1.9131 3 0 9 8
48.95 1.29 1.8607 5 0 5 8
48.95 4.35 1.8607 4 3 5 16
49.46 48.93 1.8427 4 4 0 4
49.75 93.97 1.8328 4 0 8 8
50.30 2.08 1.8140 4 4 2 8
51.37 2.26 1.7787 3 3 8 8
51.91 4.32 1.7614 5 3 2 16
52.05 5.36 1.7571 5 1 6 16
52.32 3.54 1.7485 3 1 10 16
52.69 1.90 1.7373 6 0 0 4
53.30 1.15 1.7188 0 0 12 2
53.87 4.07 1.7019 4 3 7 16
54.00 3.81 1.6980 4 1 9 16
56.72 1.01 1.6229 5 4 1 16
57.54 1.69 1.6019 5 1 8 16
58.16 2.47 1.5861 5 3 6 16
58.24 1.84 1.5842 5 4 3 16
58.30 1.14 1.5826 6 1 5 16
58.42 1.39 1.5797 3 3 10 8
58.82 16.67 1.5699 6 2 4 16
59.33 7.73 1.5577 2 2 12 8
59.63 1.13 1.5506 6 0 6 8
59.67 1.90 1.5495 6 3 1 16
60.77 1.19 1.5241 3 1 12 16
61.89 1.07 1.4992 4 4 8 8
62.54 1.49 1.4853 7 0 1 8
62.84 1.22 1.4788 5 2 9 16
63.78 4.92 1.4593 7 1 2 16
64.50 2.73 1.4447 1 1 14 8
64.57 2.07 1.4433 3 0 13 8
65.33 1.18 1.4284 7 2 1 16
66.79 1.79 1.4007 7 0 5 8
68.56 1.61 1.3687 7 3 0 8
69.25 2.60 1.3568 7 3 2 16
69.36 2.34 1.3549 7 1 6 16
69.59 2.19 1.3509 5 3 10 16
69.94 2.44 1.3451 3 1 14 16
72.55 12.46 1.3030 8 0 0 4
73.37 1.42 1.2904 8 1 1 16
73.46 5.79 1.2891 0 0 16 2
74.64 7.92 1.2716 7 3 6 16
75.20 3.84 1.2635 3 3 14 8
75.38 1.55 1.2609 6 4 8 16
75.66 1.12 1.2569 4 4 12 8
79.67 1.65 1.2035 7 5 2 16
80.00 1.62 1.1993 7 1 10 16
80.33 1.52 1.1952 5 1 14 16
80.35 2.49 1.1950 6 6 4 8
80.79 4.64 1.1896 6 2 12 16
81.25 1.04 1.1840 7 4 7 16
84.13 1.01 1.1507 4 4 14 8
84.84 2.81 1.1428 7 5 6 16
85.06 2.13 1.1405 7 3 10 16
85.38 2.73 1.1369 5 3 14 16
86.41 2.14 1.1261 7 4 9 16
88.61 1.18 1.1037 8 4 6 16
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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.