American Mineralogist Crystal Structure Database

1 matching records for this search.

Cavansite
Download hom/cavansite.pdf
Evans H T
American Mineralogist 58 (1973) 412-424
The crystal structures of cavansite and pentagonite
_database_code_amcsd 0000316
9.792 13.644 9.629 90 90 90 Pcmn
atom     x      y     z B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3) B(2,3)
Ca   .0829    .25 .3810  .0037  .0025  .0035      0   .0005      0
V    .4033    .25 .5271  .0042  .0022  .0039      0  -.0002      0
Si1  .0954  .0336 .1839  .0024  .0022  .0023 -.0002  -.0010  .0002
Si2  .3165  .0431 .3925  .0024  .0018  .0026  .0003  -.0005 -.0003
O1   .0846  .1509 .1765  .0056  .0012  .0021  .0002   .0003 -.0009
O2   .2945  .1591 .4124  .0067  .0025  .0035 -.0002  -.0017 -.0009
O3   .4477  .0203 .2962  .0032  .0028  .0011 -.0008   .0006  .0000
O4   .1671 -.0118 .0423  .0041  .0017  .0018 -.0009   .0005 -.0009
O5   .1847 -.0062 .3176  .0053  .0033  .0020 -.0014   .0020  .0006
O6   .5515    .25 .4570  .0037  .0045  .0101      0   .0001      0
Wat7 .9471  .1186 .4700  .0118  .0045  .0113 -.0040   .0028  .0001
Wat8 .3709    .25 .1387  .0218  .0068  .0009      0   .0112      0
Wat9 .8092    .25 .2806  .0137  .0116  .0303      0   .0117      0
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