Pentahydroborite
Kazanskaya E V, Chemodina T N, Egorov-Tismenko Y K, Simonov M A, Belov N V
Soviet Physics Crystallography 22 (1977) 35-36
Refined crystal structure of pentahydroborite Ca(B2O(OH)6)*(H2O)2
_database_code_amcsd 0015573
CELL PARAMETERS: 7.8450 6.5250 8.1240 111.620 111.190 73.440
SPACE GROUP: P-1
X-RAY WAVELENGTH: 1.541838
Cell Volume: 354.887
Density (g/cm3): 2.019
MAX. ABS. INTENSITY / VOLUME**2: 5.266604409
RIR: 0.849
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
12.24 14.74 7.2329 0 0 1 2
12.29 100.00 7.2015 1 0 0 2
14.65 6.66 6.0471 -1 0 1 2
14.83 32.90 5.9722 0 1 0 2
16.20 7.35 5.4716 0 -1 1 2
16.22 2.79 5.4646 -1 -1 1 2
17.55 2.02 5.0525 1 1 0 2
20.92 5.05 4.2461 -1 1 0 2
23.86 6.90 3.7299 1 -1 1 2
23.90 4.37 3.7232 -2 -1 1 2
24.23 1.67 3.6725 -2 0 1 2
24.62 21.61 3.6165 0 0 2 2
24.70 1.01 3.6039 0 -1 2 2
24.73 21.15 3.6007 2 0 0 2
25.68 7.55 3.4692 1 1 1 2
26.57 5.54 3.3544 2 1 0 2
27.29 5.83 3.2681 -2 -1 2 2
27.59 28.09 3.2325 -1 -2 1 2
28.76 11.43 3.1044 0 -2 1 2
29.54 51.24 3.0235 -2 0 2 2
29.92 1.26 2.9861 0 2 0 2
30.69 31.65 2.9131 1 0 2 2
31.17 9.86 2.8694 -2 1 0 2
31.83 5.07 2.8113 1 -1 2 2
32.56 2.64 2.7501 -2 1 1 2
32.73 3.02 2.7358 0 -2 2 2
32.78 7.27 2.7323 -2 -2 2 2
34.00 6.18 2.6367 2 1 1 2
34.47 13.25 2.6018 -1 2 0 2
34.62 1.26 2.5913 2 -1 1 2
34.67 1.72 2.5876 -3 -1 1 2
34.79 3.30 2.5787 1 -2 1 2
35.14 4.59 2.5536 -2 -1 3 2
35.54 12.31 2.5262 2 2 0 2
35.71 2.39 2.5145 -1 0 3 2
35.78 16.01 2.5093 0 -1 3 2
35.86 3.93 2.5039 -3 0 1 2
36.53 11.85 2.4601 1 1 2 2
37.24 3.15 2.4146 -1 -2 3 2
37.30 2.26 2.4110 0 0 3 2
37.87 4.71 2.3760 3 1 0 2
38.54 4.66 2.3358 -1 2 1 2
38.59 1.09 2.3332 -3 0 2 2
39.48 11.49 2.2824 -3 -2 2 2
39.84 1.55 2.2630 -3 -2 1 2
40.10 9.30 2.2485 2 0 2 2
41.22 8.14 2.1902 -3 -1 3 2
41.79 1.91 2.1617 -1 -3 1 2
41.85 5.04 2.1586 2 -1 2 2
42.30 3.00 2.1367 -1 -3 2 2
42.58 6.51 2.1230 -2 2 0 2
42.94 3.06 2.1063 2 2 1 2
42.97 4.14 2.1048 -3 1 1 2
43.09 3.22 2.0994 -3 -2 3 2
43.42 17.14 2.0842 0 -3 1 2
43.95 5.15 2.0602 -1 1 3 2
44.02 5.21 2.0569 -2 -3 1 2
44.09 1.37 2.0540 2 1 2 2
44.51 3.11 2.0356 0 1 3 2
44.69 10.15 2.0280 3 1 1 2
44.73 1.23 2.0261 0 2 2 2
44.94 1.24 2.0170 -1 -1 4 2
44.99 2.28 2.0150 0 -3 2 2
45.00 10.60 2.0146 -2 2 1 2
45.47 3.70 1.9948 -2 -1 4 2
46.51 4.33 1.9525 -1 -3 3 2
46.54 7.27 1.9516 -2 -3 3 2
46.64 2.08 1.9474 -3 1 2 2
46.68 9.58 1.9458 -2 -2 4 2
46.72 2.12 1.9443 -4 -1 2 2
46.72 4.92 1.9443 3 -1 1 2
46.78 6.15 1.9421 -4 -1 1 2
47.08 11.50 1.9301 -2 1 3 2
47.11 1.04 1.9291 1 2 2 2
47.27 5.56 1.9231 1 -2 3 2
48.17 1.43 1.8891 -3 -3 2 2
48.23 4.33 1.8867 -1 0 4 2
48.66 1.33 1.8712 1 1 3 2
48.83 1.27 1.8649 2 -2 2 2
48.93 1.73 1.8616 -4 -2 2 2
49.65 2.86 1.8363 -4 0 2 2
49.71 3.44 1.8341 -3 -3 1 2
50.01 3.88 1.8239 0 -3 3 2
50.14 5.96 1.8192 -4 -1 3 2
50.21 1.24 1.8170 -4 -2 1 2
50.31 3.14 1.8138 4 1 0 2
50.47 2.00 1.8082 0 0 4 2
51.07 1.23 1.7883 0 3 1 2
51.39 1.65 1.7781 3 0 2 2
51.58 1.03 1.7718 2 -1 3 2
51.59 7.98 1.7717 1 3 1 2
52.77 1.68 1.7346 2 2 2 2
53.53 1.10 1.7118 3 -1 2 2
53.75 1.07 1.7055 -1 -3 4 2
54.10 1.82 1.6951 -3 2 1 2
55.05 2.04 1.6682 3 -2 1 2
55.36 5.33 1.6596 2 3 1 2
55.66 2.01 1.6514 0 2 3 2
55.80 1.02 1.6474 2 1 3 2
55.87 4.07 1.6455 1 0 4 2
56.30 3.36 1.6340 -4 -2 4 2
56.54 1.05 1.6276 1 -3 3 2
56.56 3.32 1.6272 2 -2 3 2
58.38 2.79 1.5806 -1 -2 5 2
58.46 1.00 1.5786 -2 -4 3 2
59.27 1.04 1.5590 -3 -2 5 2
59.37 1.21 1.5566 0 -4 1 2
59.68 2.88 1.5493 -2 3 1 2
59.91 1.98 1.5440 -5 -1 1 2
60.13 1.61 1.5388 3 -2 2 2
61.98 1.43 1.4972 3 3 1 2
62.13 1.63 1.4940 -5 0 2 2
62.17 1.21 1.4930 0 4 0 2
62.48 1.32 1.4866 0 -2 5 2
65.01 1.03 1.4347 -4 2 0 2
65.14 1.08 1.4321 -5 -2 4 2
65.19 1.52 1.4311 -4 2 1 2
65.19 1.24 1.4310 -5 0 3 2
66.16 1.28 1.4125 -4 -4 3 2
66.43 2.26 1.4074 -4 -4 2 2
67.01 1.09 1.3965 5 2 0 2
67.67 1.41 1.3846 4 -2 1 2
67.81 1.09 1.3820 3 -2 3 2
69.92 1.12 1.3455 1 0 5 2
70.28 1.12 1.3393 5 1 1 2
70.37 1.09 1.3379 -1 3 3 2
70.54 1.06 1.3351 -3 -2 6 2
74.28 2.38 1.2768 -4 -2 6 2
75.01 1.16 1.2662 -5 -4 2 2
76.43 1.09 1.2462 1 4 2 2
79.97 1.07 1.1997 -4 1 5 2
81.85 1.07 1.1769 1 -5 2 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.