American Mineralogist Crystal Structure Database

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Munirite
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Bjornberg A, Hedman B
 
Acta Chemica Scandinavica A31 (1977) 579-584
The crystal structure of NaVO3*1.89H2O
Locality: synthetic
Note: one of the H atoms could not be found
_database_code_amcsd 0011948
16.756 3.6391 8.023 90 111.18 90 P2_1/a
atom      x     y      z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Na   .09375 .2520  .6478           .0022  .0378  .0119  .0024  .0009 -.0008
V    .03783 .2455 .16781           .0014  .0149  .0035  .0011  .0007  .0003
O1   .00071 .2510  .3327           .0022  .0295  .0060 -.0008  .0020  .0012
O2   .14265 .2780  .2540           .0015  .0474  .0097 -.0012  .0011 -.0025
O3   .98668 .2479  .9023           .0040  .0156  .0043  .0003  .0007  .0059
Ow4  .32282 .2581  .4108           .0018  .0650  .0090 -.0010  .0012  .0015
OHw5 .18965 .2423  .9491 .89       .0031   .384  .0120  .0117  .0029  .0187
H1     .272  .198   .369      2.8
H2     .333  .201   .511      3.8
H3     .167  .361   .018 .89  7.8
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