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American Mineralogist Crystal Structure Database

1 matching records for this search.

Carboborite
Download hom/carboborite.pdf 
Zhesheng M, Nicheng S, Jinchuan S, Zhizhong P
  
Bulletin de Mineralogie 104 (1981) 578-581
The refinement of the crystal structure of carboborite MgCa2[CO3]2[B(OH)4]2*4H2O
_database_code_amcsd 0012074
11.011 6.674 10.692 90 116.64 90 P2_1/n
atom     x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg      .5      0      0  .0027  .0062  .0028      0   .002      0
Ca   .2985  .9987  .2391  .0026  .0043  .0025  .0002  .0018  .0003
C    .2764  .2654  .0235  .0017  .0043  .0013  .0002  .0011 -.0002
B    .5080 -.2943  .2464  .0039  .0084  .0044  .0003  .0025  .0008
O1   .2052  .2860  .0904  .0039  .0076  .0033  .0006  .0027 -.0002
O2   .3437  .1008  .0430  .0044  .0079  .0047  .0018  .0038  .0016
O3   .4121  .2975  .3838  .0034  .0094  .0037 -.0006  .0015  .0004
O4   .2777  .4025 -.0589  .0065  .0085  .0051  .0022  .0044  .0021
O5   .5477 -.2232  .1414  .0043  .0087  .0042  .0017  .0034  .0017
O6   .5776 -.4827  .3093  .0035  .0074  .0052  .0011  .0022  .0021
O7   .5278 -.1362  .3497  .0032  .0087  .0036 -.0012  .0021  -.001
O8   .6370  .1934  .1519  .0061  .0105  .0052  .0003  .0012  .0013
O9   .3593 -.3307  .1816  .0027  .0073  .0034  .0004  .0020  .0006
H1    .116   .191   .631
H2    .173   .120   .407
H3    .358   .466   .624
H4    .428   .305   .887
H5    .401   .067   .615
H6    .460   .267   .471
H7    .168   .352   .724
H8    .477   .350   .379


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