American Mineralogist Crystal Structure Database

1 matching records for this search.

Povondraite
Download hom/povondraite.pdf
Grice J D, Ercit T S, Hawthorne F C
Download am/vol78/AM78_433.pdf
American Mineralogist 78 (1993) 433-436
Povondraite, a redefinition of the tourmaline ferridravite
Note: Atomic parameters updated by Grice on 11/20/2001.
16.186 16.186 7.444 90 90 120 R3m
atom     x     y     z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
NaX      0     0 .2277            .0171  .0171  .0340 .00855      0      0
FeY  .1224 .0612 .6429            .0044  .0036  .0118  .0022 -.0009 -.0005
FeZ  .2987 .2627 .6124            .0041  .0041  .0091  .0021  .0005  .0009
B    .1097 .2194 .4558            .0118  .0046  .0078  .0023  .0003  .0006
Si   .1892 .1876     0            .0056  .0043  .0097  .0028 -.0010 -.0010
O1       0     0 .7718            .0077  .0077  .0077 .00385      0      0
O2   .0610 .1220 .4905            .0101  .0041  .0130  .0020  .0009  .0018
O3   .2578 .1289 .5123            .0122  .0077  .0088  .0061 -.0026 -.0013
O4   .0924 .1848 .0692            .0082  .0156  .0126  .0078 -.0058 -.0029
O5   .1826 .0913 .0866            .0102  .0040  .0183  .0051  .0005  .0002
O6   .1922 .1829 .7838            .0114  .0069  .0083  .0057 -.0004 -.0016
O7   .2811 .2813 .0754            .0086  .0068  .0119  .0020 -.0002 -.0009
O8   .2070 .2679 .4420            .0053  .0097  .0175  .0045  .0038  .0055
H3   .2411 .1205 .4027 .666 0.02
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