American Mineralogist Crystal Structure Database

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Bavenite
Download hom/bavenite.pdf
Lussier A J, Hawthorne F C
Mineralogical Magazine 75 (2011) 213-239
Short-range constraints on chemical and structural variations in bavenite
Locality: Ascham Alm, Untersulzbachtal, Salzburg, Austria
Sample: 25BAV
_database_code_amcsd 0019885
23.2120 5.0043 19.4439 90 90 90 Cmcm
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   .08388 .24491 .15264 .00375 .01245 .01352 .01360 .01024 -.00026 -.00042 .00131
Ca   .08388 .24491 .15264        .01245 .01352 .01360 .01024 -.00026 -.00042 .00131
SiT1      0 .77755    .25        .00868  .0084  .0098  .0079       0       0      0
BeT2 .12506  .8139    .25         .0094  .0089  .0110  .0085   .0003       0      0
SiT3      0 .72270 .10440  .8615  .0087  .0093  .0092  .0076       0       0 -.0005
BeT3      0 .72270 .10440  .1385  .0087  .0093  .0092  .0076       0       0 -.0005
SiT4 .09497     .5      0  .1275  .0085  .0102  .0088  .0063       0       0   .004
AlT4 .09497     .5      0  .8725  .0085  .0102  .0088  .0063       0       0   .004
SiT5 .17021      0      0        .00974  .0106  .0107  .0079       0       0 -.0003
SiT6 .21413 .85570 .14332        .00903  .0094  .0098  .0079  .00029  .00040 .00058
O1        0  .5751 .18258         .0106  .0140  .0102  .0076       0       0 -.0015
O2        0  .0346 .11255         .0136  .0131  .0123  .0155       0       0  .0017
O3   .05739  .5988 .07101         .0152  .0161  .0166  .0128   .0037   .0042  .0009
O4   .13109  .2325 .03575         .0141  .0161  .0142  .0119   .0030   .0014 -.0014
O5   .20829  .8655 .06025         .0138  .0151  .0176  .0086   .0031  -.0008  .0006
O6   .23343  .5556 .16518         .0125  .0135  .0106  .0133   .0023   .0020  .0017
O7   .15456  .9307 .18002         .0127  .0121  .0139  .0122   .0031   .0037  .0021
O8   .12116  .4884    .25         .0122  .0113  .0108  .0146  -.0003       0      0
O9   .05854  .9529    .25         .0102  .0087  .0117  .0104  -.0006       0      0
H8    .1624  .4458    .25          .015
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