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American Mineralogist Crystal Structure Database

1 matching records for this search.

Searlesite
Download hom/searlesite.pdf 
Ghose S, Wan C
Download am/vol61/AM61_123.pdf 
American Mineralogist 61 (1976) 123-129
Structural chemistry of borosilicates, part II: Searlesite, NaBSi2O5(OH):
Absolute configuration, hydrogen locations, and refinement of the structure
Note: unable to reproduce any of the reported bond lengths
_database_code_amcsd 0000498
7.9814 7.0657 4.9054 90 93.95 90 P2_1
atom      x      y      z  Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Na    .4390      0  .9812 1.662  .0071  .0068  .0197 -.0006  .0032  .0037
B     .3514  .7984  .3984  .608  .0019  .0028  .0083 -.0002 -.0001 -.0003
Si1  .13465 .41571 .21207  .501  .0015  .0024  .0067 -.0004 -.0006  .0005
Si2  .08340 .98671 .31053  .441  .0013  .0020  .0063  .0001  .0001  .0002
O1    .1651  .1903  .2492  1.31  .0050  .0025  .0223 -.0016 -.0013  .0027
O2    .0851  .4610  .8931   .87  .0022  .0071  .0064  .0003 -.0003  .0013
O3    .2202  .8314  .2566  1.09  .0041  .0047  .0137  .0030  .0007  .0003
O4    .3114  .5110  .3087   .76  .0018  .0023  .0141 -.0003 -.0012 -.0010
O5    .0222  .9842  .6177  1.13  .0029  .0102  .0071 -.0003  .0013 -.0003
O6    .3604  .7261  .6953  1.09  .0039  .0074  .0084 -.0015  .0004 -.0011
O7    .4858  .2563  .7005   .93  .0025  .0055  .0111  .0016  .0006  .0013
H1     .267   .699   .769   -.9
H2     .578   .424   .416   -.5


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