American Mineralogist Crystal Structure Database

1 matching records for this search.

NaCa1.5(NbO)2O2(AsO4)2
 
Amor R B, Zid M F
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=61&spage=228
Acta Crystallographica E61 (2005) i228-i230
NaCa1.5(NbO)2O2(AsO4)2
Locality: synthetic
_database_code_amcsd 0010458
6.730 22.302 7.4309 90 113.8270 90  C2/c
atom      x       y      z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3)  U(2,3)
Na       .5  .44084    .75      .0347  .0201  .0183  .0600      0  .0104       0
Ca1       0  .48192    .25 .87 .00806  .0090  .0075  .0091      0  .0051       0
Ca2     -.5  .27733    .25 .63  .0219  .0189  .0120  .0320      0  .0074       0
Nb   .00565 .357919 .51029     .00618 .00677 .00712 .00501 .00071 .00274 -.00041
As1      .5 .417962    .25     .00927 .00533 .00707  .0140      0 .00240       0
As2       0 .221982    .25     .00575 .00513 .00619 .00617      0 .00254       0
O1   -.0977  .26328  .3858      .0134  .0196  .0080  .0197 -.0023  .0152  -.0044
O2        0  .32411    .75      .0086  .0124  .0089  .0045      0  .0036       0
O3    .0752  .43450  .5814      .0132  .0172  .0118  .0126 -.0012  .0081  -.0019
O4   -.3221  .36857  .4147      .0122  .0066  .0140  .0148  .0020  .0033   .0043
O5    .3118  .32501  .5945      .0179  .0102  .0254  .0195  .0093  .0074   .0130
O6   -.6303  .45972  .3518      .0212  .0119  .0182  .0325  .0025  .0081  -.0122
O7        0  .37148    .25      .0092  .0131  .0092  .0068      0  .0056       0
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