Bakerite
Perchiazzi N, Gualtieri A F, Merlino S, Kampf A R
American Mineralogist 89 (2004) 767-776
The atomic structure of bakerite and its relationship to datolite
Sample: Combined refinement
_database_code_amcsd 0003545
CELL PARAMETERS: 4.8004 7.5786 9.5426 90.000 90.435 90.000
SPACE GROUP: P2_1/c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 347.156
Density (g/cm3): 2.983
MAX. ABS. INTENSITY / VOLUME**2: 4.530495697
RIR: 0.495
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
14.93 9.71 5.9346 0 1 1 4
18.48 15.82 4.8003 1 0 0 2
18.60 6.58 4.7712 0 0 2 2
23.48 5.79 3.7893 0 2 0 2
23.79 25.57 3.7409 -1 1 1 4
23.90 52.67 3.7236 1 1 1 4
25.29 1.29 3.5218 0 2 1 4
26.23 5.25 3.3969 -1 0 2 2
26.44 50.33 3.3712 1 0 2 2
28.80 100.00 3.0998 -1 1 2 4
28.99 58.21 3.0802 1 1 2 4
30.04 51.06 2.9743 1 2 0 4
30.12 12.87 2.9673 0 2 2 4
31.46 88.99 2.8433 -1 2 1 4
31.55 56.15 2.8358 1 2 1 4
35.49 1.94 2.5294 -1 2 2 4
35.65 2.81 2.5187 1 2 2 4
35.77 25.96 2.5106 -1 1 3 4
36.00 53.88 2.4950 1 1 3 4
36.90 1.18 2.4362 0 2 3 4
37.71 12.54 2.3856 0 0 4 2
39.38 1.60 2.2881 2 1 0 4
39.61 14.21 2.2755 0 1 4 4
40.34 36.42 2.2355 1 3 0 4
40.40 36.63 2.2326 0 3 2 4
40.47 21.49 2.2287 -2 1 1 4
41.47 43.03 2.1776 -1 2 3 4
41.52 9.59 2.1749 1 3 1 4
41.67 35.97 2.1674 1 2 3 4
42.01 8.98 2.1507 -2 0 2 2
42.17 8.88 2.1428 -1 0 4 2
42.44 14.26 2.1299 1 0 4 2
43.91 13.69 2.0620 -1 1 4 4
44.69 2.35 2.0276 2 2 0 4
44.71 6.10 2.0271 -1 3 2 4
44.90 1.00 2.0188 0 2 4 4
45.68 17.99 1.9859 -2 2 1 4
45.81 29.12 1.9808 2 2 1 4
45.87 9.46 1.9782 0 3 3 4
48.02 12.84 1.8947 0 4 0 2
48.68 1.67 1.8704 -2 2 2 4
48.83 4.95 1.8652 -1 2 4 4
48.86 21.36 1.8639 -2 1 3 4
48.92 2.97 1.8618 2 2 2 4
49.02 7.51 1.8584 0 4 1 4
49.22 24.94 1.8511 2 1 3 4
49.23 3.52 1.8507 0 1 5 4
49.95 1.77 1.8260 1 3 3 4
51.88 17.13 1.7624 1 4 0 4
51.93 8.93 1.7609 0 4 2 4
52.78 11.72 1.7344 0 3 4 4
52.85 1.87 1.7322 1 4 1 4
52.89 3.71 1.7311 -1 1 5 4
53.43 1.51 1.7148 -2 2 3 4
53.48 5.72 1.7135 -2 3 1 4
53.77 1.09 1.7048 2 2 3 4
53.78 19.67 1.7045 0 2 5 4
53.99 11.03 1.6984 -2 0 4 2
55.44 3.81 1.6573 -2 1 4 4
55.88 22.73 1.6454 2 1 4 4
56.17 18.87 1.6376 -2 3 2 4
56.30 10.31 1.6341 -1 3 4 4
56.38 18.51 1.6318 2 3 2 4
56.51 8.65 1.6284 1 3 4 4
57.23 5.75 1.6097 -1 2 5 4
57.50 2.04 1.6028 1 2 5 4
57.61 8.73 1.6001 3 0 0 2
57.99 5.59 1.5904 0 0 6 2
59.66 6.01 1.5499 -2 2 4 4
60.09 1.19 1.5397 1 4 3 4
61.24 5.61 1.5136 3 0 2 2
61.26 6.27 1.5131 -1 0 6 2
61.57 4.54 1.5063 1 0 6 2
61.99 1.18 1.4970 0 5 1 4
62.28 4.50 1.4908 -3 1 2 4
62.58 3.70 1.4843 3 1 2 4
63.24 1.58 1.4705 -2 4 1 4
63.43 6.78 1.4665 0 2 6 4
63.83 3.34 1.4583 -3 2 1 4
63.98 3.67 1.4552 3 2 1 4
64.29 1.61 1.4490 1 3 5 4
64.47 1.54 1.4454 1 5 0 4
64.51 1.66 1.4446 0 5 2 4
65.27 5.43 1.4296 -1 5 1 4
65.68 1.76 1.4217 -2 4 2 4
65.79 1.00 1.4194 -1 4 4 4
65.87 2.95 1.4179 2 4 2 4
65.99 3.38 1.4156 1 4 4 4
66.35 3.67 1.4088 -3 1 3 4
66.54 1.08 1.4052 -1 2 6 4
66.80 1.25 1.4005 3 1 3 4
69.54 6.42 1.3518 3 3 0 4
69.67 1.32 1.3496 -2 4 3 4
70.61 3.14 1.3339 3 2 3 4
71.65 6.08 1.3170 -1 5 3 4
71.80 8.43 1.3148 1 5 3 4
72.87 1.54 1.2981 -1 3 6 4
73.09 3.12 1.2946 -1 1 7 4
73.20 2.73 1.2930 1 4 5 4
75.23 4.26 1.2631 0 6 0 2
75.59 3.61 1.2579 -3 2 4 4
75.78 1.60 1.2553 -2 2 6 4
76.00 2.24 1.2522 0 6 1 4
76.38 1.96 1.2470 -3 3 3 4
76.78 1.67 1.2414 -1 2 7 4
76.79 1.44 1.2412 3 3 3 4
76.96 1.15 1.2390 -2 5 2 4
77.07 1.64 1.2374 -1 5 4 4
77.10 3.97 1.2370 1 2 7 4
77.14 1.53 1.2364 2 5 2 4
77.26 1.56 1.2349 1 5 4 4
78.19 7.04 1.2225 3 4 0 4
78.52 9.85 1.2181 0 4 6 4
78.89 1.32 1.2134 -3 4 1 4
79.02 2.06 1.2117 3 4 1 4
79.05 1.22 1.2113 1 6 1 4
79.94 4.29 1.2001 4 0 0 2
80.53 1.28 1.1928 0 0 8 2
80.73 6.54 1.1904 -2 5 3 4
81.00 7.61 1.1870 2 5 3 4
81.14 1.15 1.1853 4 1 0 4
81.35 1.76 1.1828 1 6 2 4
81.64 1.67 1.1793 -3 3 4 4
81.73 5.47 1.1783 0 1 8 4
81.99 1.09 1.1752 4 1 1 4
82.02 1.84 1.1749 -2 1 7 4
82.19 5.69 1.1728 3 3 4 4
82.38 4.15 1.1706 -3 2 5 4
83.07 4.01 1.1627 3 2 5 4
83.70 1.05 1.1555 1 0 8 2
83.88 1.81 1.1535 -1 5 5 4
85.57 1.17 1.1350 4 2 1 4
85.60 3.73 1.1347 -2 2 7 4
85.82 2.03 1.1323 -3 0 6 2
86.23 3.99 1.1279 2 2 7 4
86.63 3.45 1.1237 3 0 6 2
87.21 1.19 1.1178 2 6 0 4
87.36 2.62 1.1163 0 6 4 4
87.92 2.08 1.1106 -2 6 1 4
89.76 2.38 1.0925 3 5 1 4
89.97 4.27 1.0905 -3 4 4 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.