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
13.119 13.445 9.526 90 90 118.40 B2/b
atom      x      y      z Biso  B(1,1)  B(2,2)  B(3,3)  B(1,2)   B(1,3)   B(2,3)
Ca1       0    .25 .24378  .51 .000788 .000965 .001543 .000421        0        0
Ca2  .33830 .57045 .90893  .56 .001070 .000947 .001791 .000550 -.000091 -.000067
B1    .2606  .1680  .3402  .59 .001145 .000965 .001873 .000586  .000114  .000000
B2    .0916  .1577  .4734  .53 .000976 .000786 .001653 .000385  .000068  .000067
B3    .2428  .3430  .3488  .54 .001014 .000751 .001846 .000366  .000000  .000067
O1    .1782  .1193  .4581  .62 .001201 .000983 .002094 .000623  .000455  .000466
O2    .1384  .2770  .4367  .54 .000939 .000661 .002094 .000348  .000318  .000111
O3    .3050  .4586  .4095  .72 .001521 .000661 .002369 .000256 -.000136 -.000111
O4    .0107  .4054  .3771  .74 .001445 .000929 .002507 .000476  .000637  .000178
O5    .3180  .2910  .3440  .59 .000864 .000786 .002479 .000403  .000250  .000155
O6    .3435  .1230  .3425  .82 .001690 .001734 .002755 .001319  .000045  .000111
O7    .4595  .3663  .1156  .74 .001164 .001555 .001625 .000476 -.000296 -.000244
O8    .2037  .1187  .2046 1.00 .002027 .002413 .002039 .001392 -.000500 -.000999
O9    .0186  .1396  .0460 1.22 .001915 .002020 .003857 .000623  .000660 -.000599
O10   .1994  .3514  .2061  .72 .001352 .001626 .001625 .000788  .000000  .000155
H1     .813   .006   .141  6.6
H2     .977   .029   .376  8.2
H3     .415   .172   .405  9.8
H4     .596   .171   .197  5.9
H5     .142   .130   .161  9.1
H6     .554   .157   .471  5.7
H7     .964   .075   .032  4.2
H8     .766   .150   .136  8.8