American Mineralogist Crystal Structure Database

1 matching records for this search.

Ammonioborite
Download hom/ammonioborite.pdf
Merlino S, Sartori F
 
Science 171 (1971) 377-379
Ammonioborite: New borate polyion and its structure
_database_code_amcsd 0015421
25.27 9.65 11.56 90 94.28 90 C2/c
atom      x      y      z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
N1    .3508  .8438  .2686      .0017  .0117  .0075  .0001  .0007  .0014
N2       .5  .2211    .25      .0015  .0110  .0057      0 -.0001      0
B1    .3132  .3083  .0673      .0009  .0073  .0062  .0001 -.0001  .0004
B2    .3782  .1271  .0902      .0008  .0066  .0058 -.0001  .0002  .0001
B3    .4465 -.0555  .0818      .0008  .0068  .0054 -.0001  .0003  .0005
B4    .3448  .2352  .2659      .0011  .0072  .0043 -.0002  .0003  .0001
B5       .5 -.1575    .25      .0010  .0072  .0042      0  .0003      0
B6    .3181  .1674  .4615      .0010  .0053  .0060 -.0001  .0001  .0008
B7    .3816  .3481  .4476      .0011  .0075  .0055  .0001  .0004  .0003
B8    .4916 -.2377  .4506      .0009  .0056  .0054 -.0002  .0004  .0001
O1    .3466  .2150  .0167      .0010  .0092  .0050  .0005  .0004  .0002
O2    .4097  .0372  .0334      .0010  .0074  .0054  .0005  .0003 -.0002
O3    .4713 -.1402  .0035      .0010  .0074  .0053  .0005  .0001 -.0001
O4    .3091  .3119  .1831      .0010  .0090  .0062  .0006  .0005 -.0005
O5    .3783  .1382  .2052      .0011  .0076  .0057  .0006  .0003  .0002
O6    .4577 -.0675  .1951      .0010  .0073  .0061  .0004  .0002 -.0003
O7    .3128  .1550  .3447      .0010  .0059  .0061 -.0003  .0001 -.0003
O8    .3792  .3346  .3323      .0012  .0075  .0061 -.0007  .0004  .0006
O9    .4777 -.2456  .3378      .0010  .0069  .0062 -.0006  .0003 -.0002
O10   .3536  .2609  .5155      .0014  .0092  .0048 -.0007  .0003 -.0002
OH11  .2830  .3961 -.0029      .0013  .0100  .0060  .0009  .0002  .0003
OH12  .2908  .0914  .5356      .0015  .0118  .0060 -.0009  .0006 -.0001
OH13  .4124  .4478  .5020      .0016  .0088  .0064 -.0009  .0005 -.0005
OH14  .4707 -.3207  .5304      .0014  .0095  .0050 -.0009  .0003 -.0005
Wat15 .2868  .5900  .2672      .0014  .0112  .0066  .0004  .0001 -.0011
Wat16 .4105  .5702  .2277 .65  .0014  .0108  .0059 -.0008 -.0001  .0007
Wat17 .4354  .5267  .2223 .35  .0020  .0062  .0056 -.0009  .0004 -.0002
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