Pentagonite
Evans H T
American Mineralogist 58 (1973) 412-424
The crystal structures of cavansite and pentagonite
_database_code_amcsd 0000317
10.386 14.046 8.975 90 90 90 Ccm2_1
atom      x     y      z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Si1   .1272 .2062  .0871  .0037  .0015  .0017 -.0001 -.0002  .0000
Si2   .1232 .2074  .4265  .0014  .0009  .0038 -.0005 -.0009  .0002
Ca    .2403     0  .2674  .0038  .0019  .0033      0  .0008      0
V    -.0224     0  .0553  .0035  .0016  .0043      0 -.0011      0
O1    .1231 .0927  .0842  .0041  .0009  .0059 -.0001  .0021  .0007
O2    .1201 .0934  .4358  .0034  .0013  .0030  .0007  .0006 -.0006
O3    .2532 .2468  .0115  .0026  .0022  .0081 -.0015  .0003  .0004
O4    .0036 .2540  .0075  .0031  .0013  .0083 -.0002 -.0025  .0009
O5    .1229 .2455  .2573  .0052  .0025  .0018  .0004  .0006  .0016
O6   -.0887     0  .2136  .0059  .0046  .0049      0  .0008      0
Wat7  .3968 .1188  .2425  .0121  .0048  .0099 -.0022 -.0057  .0035
Wat8  .6250     0 -.0035  .0130  .0069  .0112      0 -.0079      0
Wat9  .353      0  -.096  .0098  .0133  .0094      0  .0124      0