American Mineralogist Crystal Structure Database

1 matching records for this search.

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: Government Pit, Albany, New Hampshire
Sample: 10BAV
_database_code_amcsd 0019876
23.2068 4.9929 19.4340 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   .08343 .24779 .15288 .00925 .01301  .0141  .0118  .0131 -.0010 -.0006  .0013
Ca   .08343 .24779 .15288  .9865 .01301  .0141  .0118  .0131 -.0010 -.0006  .0013
SiT1      0  .7773    .25         .0088  .0090  .0075  .0098      0      0      0
BeT2  .1248  .8179    .25         .0092   .011   .005   .012  .0014      0      0
SiT3      0  .7228 .10419   .701  .0080  .0093  .0059  .0089      0      0  .0001
BeT3      0  .7228 .10419  .4055  .0080  .0093  .0059  .0089      0      0  .0001
SiT4 .09465     .5      0  .4105  .0078  .0103  .0058  .0074      0      0  .0003
AlT4 .09465     .5      0   .299  .0078  .0103  .0058  .0074      0      0  .0003
SiT5 .17020      0      0         .0098  .0107  .0087  .0101      0      0 -.0012
SiT6 .21404 .85830 .14362        .00903  .0099  .0070  .0102  .0005  .0004  .0004
O1        0  .5758 .18238         .0105  .0126  .0098  .0091      0      0  -.002
O2        0  .0360 .11158         .0129  .0126  .0073  .0189      0      0 -.0002
O3   .05771  .5981 .07017         .0140   .016  .0116   .015  .0046  .0043  .0007
O4   .13117  .2345 .03488         .0143   .017  .0123  .0141  .0034  .0014 -.0026
O5   .20825  .8683 .06049         .0140   .016  .0152  .0103  .0022 -.0010  .0009
O6   .23340  .5581 .16530         .0119  .0138  .0067   .015  .0021  .0008  .0015
O7   .15449  .9320 .18001         .0121  .0124  .0105   .013  .0015  .0038  .0022
O8   .12110  .4900    .25         .0121  .0101  .0090  .0171 -.0015      0      0
O9   .05832  .9538    .25         .0094  .0092  .0064  .0126  -.000      0      0
H8    .1627  .4572    .25          .015
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