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: Marsikov, Schinderhubel 1, Czech Republic
Sample: 32BAV
_database_code_amcsd 0019890
23.1995 4.9743 19.4255 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   .08269 .25323 .15349  .0035 .01248  .0131  .0142  .0102 -.0015 -.00071  .0015
Ca   .08269 .25323 .15349 .99425 .01248  .0131  .0142  .0102 -.0015 -.00071  .0015
SiT1      0  .7748    .25         .0074  .0061  .0075  .0084      0       0      0
BeT2 .12453  .8206    .25         .0090  .0094   .010  .0076  .0001       0      0
SiT3      0  .7218 .10384  .5575  .0076  .0084  .0087  .0058      0       0  .0007
BeT3      0  .7218 .10384  .4425  .0076  .0084  .0087  .0058      0       0  .0007
SiT4 .09378     .5      0  .4475  .0065  .0085  .0067  .0043      0       0  .0002
AlT4 .09378     .5      0  .5525  .0065  .0085  .0067  .0043      0       0  .0002
SiT5 .17030      0      0         .0090  .0089  .0098  .0083      0       0 -.0013
SiT6 .21400 .86186 .14435        .00779  .0079  .0082  .0073  .0002   .0009  .0002
O1        0  .5748 .18221         .0094  .0118  .0096  .0067      0       0 -.0010
O2        0  .0365 .10951         .0119  .0109  .0084  .0164      0       0  .0009
O3   .05758  .5959 .06888         .0134  .0142   .014  .0120  .0043   .0048 -.0003
O4   .13074  .2393 .03352         .0141  .0147  .0150  .0126  .0041   .0003 -.0030
O5   .20825  .8724 .06123         .0137  .0139   .018  .0094  .0029  -.0004  .0002
O6   .23303  .5597 .16607         .0110  .0126  .0087  .0117  .0021   .0021  .0023
O7   .15429  .9380 .18013         .0110  .0104  .0112  .0115  .0017   .0039  .0029
O8   .12109  .4938    .25         .0109  .0099  .0065  .0163 -.0001       0      0
O9   .05811  .9564    .25         .0083  .0068  .0077  .0103  .0004       0      0
H8    .1625  .4554    .25          .015
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