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: Norway
Sample: 39BAV
_database_code_amcsd 0019895
23.2051 4.9986 19.4375 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   .08366  .2466 .15275 .0045 .01178  .0127  .0125  .0102 -.0008 -.00052  .0013
Ca   .08366  .2466 .15275       .01178  .0127  .0125  .0102 -.0008 -.00052  .0013
SiT1      0  .7779    .25        .0079  .0067  .0095  .0075      0       0      0
BeT2 .12468  .8160    .25        .0079  .0074   .009   .007 -.0011       0      0
SiT3      0  .7231 .10413 .6665  .0075  .0083  .0080  .0063      0       0  .0002
BeT3      0  .7231 .10413 .3335  .0075  .0083  .0080  .0063      0       0  .0002
SiT4 .09497     .5      0 .3245  .0063  .0084  .0065  .0042      0       0  .0003
AlT4 .09497     .5      0 .6755  .0063  .0084  .0065  .0042      0       0  .0003
SiT5 .17032      0      0        .0090  .0095  .0098  .0076      0       0 -.0006
SiT6 .21415 .85694 .14362       .00777  .0082  .0082  .0069  .0004   .0007  .0003
O1        0  .5755 .18262        .0100  .0123  .0096  .0082      0       0  -.001
O2        0  .0371 .11200        .0123  .0113  .0095  .0159      0       0  .0004
O3   .05757  .5991 .07021        .0135  .0150  .0136  .0118  .0041   .0044  .0010
O4   .13122  .2343 .03513        .0130  .0158  .0119  .0113  .0040   .0009 -.0025
O5   .20827  .8660 .06043        .0128  .0148  .0163  .0072  .0022  -.0005  .0004
O6   .23345  .5568 .16530        .0111  .0131  .0078  .0125  .0017   .0017  .0009
O7   .15446 .93122 .17990        .0112  .0102  .0124  .0111  .0017   .0031  .0023
O8   .12107  .4888    .25        .0113  .0107  .0084  .0147  -.001       0      0
O9   .05830  .9538    .25        .0087  .0073  .0093  .0094  .0001       0      0
H8    .1630   .466    .25         .015
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