Nifontovite
Simonov M A, Egorov-Tismenko Y K, Kazanskaya E V, Belokoneva E L, Belov N V
Soviet Physics Doklady 23 (1978) 159-161
Hydrogen bonds in the crystal structure of nifontovite Ca2/B5O3(OH)6/2*2H2O
_database_code_amcsd 0015605
CELL PARAMETERS: 13.1190 13.4450 9.5260 90.000 90.000 118.400
SPACE GROUP: B2/b
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1478.023
Density (g/cm3): 2.342
MAX. ABS. INTENSITY / VOLUME**2: 3.780572284
RIR: 0.526
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
12.05 100.00 7.3464 1 0 1 4
12.11 1.87 7.3111 1 -1 1 4
14.98 17.57 5.9134 0 2 0 2
15.36 37.04 5.7701 2 0 0 2
15.54 21.83 5.7023 -2 2 0 2
16.01 60.96 5.5344 1 1 1 4
18.63 1.31 4.7630 0 0 2 2
20.10 16.79 4.4182 0 1 2 4
21.96 7.15 4.0467 1 2 1 4
22.13 19.40 4.0173 -1 3 1 4
22.64 20.29 3.9271 3 -1 1 4
22.74 1.85 3.9109 3 -2 1 4
23.08 61.21 3.8540 2 -1 2 4
23.99 22.82 3.7094 0 2 2 4
24.23 4.25 3.6732 2 0 2 4
24.35 2.97 3.6555 2 -2 2 4
24.96 8.33 3.5669 3 0 1 4
26.21 1.24 3.3999 2 2 0 2
26.54 1.24 3.3583 -2 4 0 2
27.19 1.52 3.2794 -4 2 0 2
28.76 4.31 3.1041 1 3 1 4
28.94 19.29 3.0855 -1 4 1 4
29.16 12.47 3.0620 3 1 1 4
29.19 14.76 3.0590 1 -1 3 4
29.41 14.35 3.0370 0 3 2 4
30.23 36.30 2.9567 0 4 0 2
31.00 3.70 2.8850 4 0 0 2
31.37 2.33 2.8511 -4 4 0 2
32.35 1.09 2.7672 2 2 2 4
32.63 39.00 2.7447 -2 4 2 4
33.17 8.42 2.7011 4 -2 2 4
33.96 16.26 2.6399 4 -1 2 4
34.13 7.07 2.6268 4 -3 2 4
34.65 4.88 2.5887 1 2 3 4
35.08 19.83 2.5583 -3 5 1 4
35.65 8.23 2.5186 5 -2 1 4
35.74 1.39 2.5121 0 4 2 4
36.01 3.11 2.4938 1 4 1 4
36.20 24.81 2.4814 -1 5 1 4
36.41 11.74 2.4676 4 0 2 4
36.70 50.66 2.4488 3 0 3 4
36.74 3.54 2.4463 4 -4 2 4
36.88 40.75 2.4370 3 -3 3 4
37.18 25.08 2.4179 5 -1 1 4
37.78 7.03 2.3815 0 0 4 2
38.21 11.83 2.3552 2 3 2 4
38.53 3.79 2.3367 -2 5 2 4
39.61 1.81 2.2751 -1 4 3 4
40.07 13.65 2.2501 -3 4 3 4
40.20 1.57 2.2431 5 0 1 4
40.26 18.67 2.2403 4 1 2 4
40.29 13.58 2.2385 2 -1 4 4
40.35 5.09 2.2351 2 4 0 2
40.67 18.10 2.2182 5 -5 1 4
40.71 2.29 2.2164 -4 5 2 4
40.73 3.99 2.2153 -2 6 0 2
40.81 6.03 2.2113 4 2 0 2
40.85 7.52 2.2091 0 2 4 4
41.00 3.36 2.2014 2 0 4 4
41.43 2.47 2.1795 -3 6 1 4
41.92 5.81 2.1552 -6 2 0 2
43.14 4.22 2.0968 2 1 4 4
43.29 4.34 2.0902 -2 3 4 4
43.61 4.09 2.0757 1 5 1 4
43.80 29.59 2.0669 -1 6 1 4
44.10 2.50 2.0534 3 2 3 4
44.44 1.53 2.0384 0 3 4 4
44.79 5.69 2.0234 2 4 2 4
44.94 1.30 2.0170 5 -2 3 4
45.21 1.62 2.0057 4 2 2 4
45.66 3.11 1.9870 6 -3 2 4
45.76 5.76 1.9829 -4 6 2 4
46.05 2.27 1.9711 0 6 0 2
46.23 8.05 1.9636 6 -2 2 4
46.44 3.93 1.9555 6 -4 2 4
46.56 7.45 1.9506 2 2 4 4
46.76 14.24 1.9426 -2 4 4 4
47.16 3.86 1.9270 4 -2 4 4
47.26 22.12 1.9234 6 0 0 2
47.76 3.73 1.9044 4 -1 4 4
47.86 10.02 1.9008 -6 6 0 2
47.89 3.60 1.8994 4 -3 4 4
48.42 7.83 1.8798 1 0 5 4
48.44 4.79 1.8792 1 -1 5 4
48.52 3.74 1.8763 6 -5 2 4
48.78 1.09 1.8669 5 0 3 4
49.12 1.77 1.8547 0 4 4 4
49.18 19.41 1.8525 5 -5 3 4
49.40 23.44 1.8448 3 3 3 4
49.68 7.67 1.8351 7 -3 1 4
49.70 10.85 1.8346 1 1 5 4
49.75 2.83 1.8329 -1 2 5 4
50.41 3.74 1.8104 -5 7 1 4
51.03 2.10 1.7897 4 3 2 4
51.17 9.60 1.7853 7 -5 1 4
51.31 12.77 1.7806 -2 5 4 4
51.51 1.84 1.7741 1 6 1 4
51.71 1.38 1.7676 -1 7 1 4
51.73 9.39 1.7670 1 5 3 4
51.93 1.04 1.7608 2 5 2 4
52.19 3.65 1.7527 1 2 5 4
52.30 1.26 1.7491 -2 7 2 4
52.48 13.21 1.7437 5 1 3 4
52.70 6.89 1.7369 4 1 4 4
53.07 1.41 1.7257 -4 5 4 4
53.69 1.61 1.7073 3 0 5 4
53.73 12.53 1.7060 7 -6 1 4
54.66 4.11 1.6792 -4 8 0 2
55.26 7.72 1.6623 3 5 1 4
55.50 3.87 1.6557 3 4 3 4
55.79 1.81 1.6479 1 3 5 4
55.84 1.91 1.6465 -3 8 1 4
55.89 4.92 1.6451 -1 4 5 4
55.99 1.97 1.6424 -3 7 3 4
56.43 3.43 1.6307 -2 8 0 2
56.66 2.26 1.6244 7 0 1 4
57.20 2.45 1.6105 6 -3 4 4
57.26 1.25 1.6088 7 -4 3 4
57.69 4.31 1.5980 6 -2 4 4
58.10 1.33 1.5877 0 0 6 2
58.17 2.90 1.5858 -8 2 0 2
58.26 1.06 1.5836 -4 8 2 4
58.63 1.63 1.5745 -8 6 0 2
59.56 7.86 1.5521 2 6 2 4
59.73 1.08 1.5481 -3 5 5 4
59.76 1.42 1.5474 1 7 1 4
59.96 1.60 1.5428 -2 8 2 4
60.12 1.48 1.5391 5 -2 5 4
60.53 5.67 1.5295 2 -2 6 4
61.16 1.05 1.5153 5 -1 5 4
61.99 1.03 1.4970 -7 8 1 4
63.16 1.03 1.4721 3 6 1 4
63.29 2.39 1.4693 5 0 5 4
64.74 1.17 1.4399 4 5 2 4
64.92 1.19 1.4364 8 -7 2 4
65.47 1.59 1.4256 -8 8 0 2
65.50 3.96 1.4251 -4 9 2 4
65.78 2.33 1.4197 4 -1 6 4
65.96 2.99 1.4163 -1 6 5 4
66.45 1.49 1.4069 5 1 5 4
66.89 1.13 1.3988 0 4 6 4
67.70 2.91 1.3841 2 7 2 4
67.72 2.16 1.3836 4 4 4 4
67.72 1.40 1.3836 9 -2 1 4
69.61 5.37 1.3505 8 -4 4 4
69.91 1.89 1.3455 -5 9 3 4
70.03 2.02 1.3436 8 -3 4 4
70.20 1.73 1.3408 -4 10 0 2
70.24 3.65 1.3401 8 -5 4 4
70.58 1.70 1.3345 5 2 5 4
70.73 1.54 1.3320 9 -1 1 4
71.16 1.84 1.3250 -5 7 5 4
72.69 1.94 1.3009 -1 3 7 4
73.76 1.31 1.2846 -7 10 1 4
73.87 1.81 1.2829 3 0 7 4
73.91 2.49 1.2824 7 -6 5 4
74.37 3.02 1.2756 4 5 4 4
75.69 1.43 1.2565 -3 8 5 4
75.73 1.38 1.2560 0 8 4 4
75.75 1.29 1.2557 10 -6 2 4
77.14 2.64 1.2365 0 6 6 4
77.92 2.51 1.2261 5 6 1 4
78.05 2.06 1.2244 6 0 6 4
79.07 1.59 1.2111 -3 5 7 4
79.09 1.41 1.2109 -8 10 2 4
79.47 1.48 1.2060 5 -3 7 4
79.58 1.76 1.2046 9 1 1 4
79.62 1.14 1.2041 1 4 7 4
80.29 1.06 1.1958 7 1 5 4
81.00 1.05 1.1870 4 7 2 4
81.19 2.43 1.1848 0 1 8 4
81.50 2.13 1.1810 5 4 5 4
81.79 1.53 1.1776 4 6 4 4
82.76 1.22 1.1662 2 0 8 4
84.21 2.03 1.1498 2 1 8 4
85.33 2.19 1.1375 -2 8 6 4
85.73 1.40 1.1333 6 6 0 2
85.73 2.33 1.1333 2 9 2 4
85.95 1.45 1.1309 -2 10 4 4
86.80 1.53 1.1220 8 -2 6 4
86.85 1.06 1.1215 -9 10 3 4
87.19 1.79 1.1180 8 -6 6 4
88.41 1.18 1.1057 8 4 0 2
89.87 2.33 1.0914 9 -8 5 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.