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American Mineralogist Crystal Structure Database

1 matching records for this search.

Magbasite
Download hom/magbasite.pdf 
Welch M D, Mitchell R H, Kampf A R, Chakhmouradian, Smith D, Carter M
  
Mineralogical Magazine 78 (2014) 29-45
Crystal structure and topological affinities of magbasite,
KBaFe3+Mg7Si8O22(OH)2F6: a trellis structure related to amphibole and carpholite
Locality: Eldor carbonatite complex, Labrador Trough, Quebec, Canada
_database_code_amcsd 0020127
18.9506 22.5045 5.2780 90 90 90 Cmma
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
KA       .5    .25  .1671      .0218  .0253  .0194  .0209      0      0      0
BaB     .25      0      0      .0142  .0231 .00886 .01064      0      0      0
Fe1     .25 .17858      0 .026 .0082  .0097  .0075  .0075      0  .0003      0
Mg1     .25 .17858      0 .974 .0082  .0097  .0075  .0075      0  .0003      0
Mg2     .25 .10953     .5 .967 .0086  .0102  .0078  .0078      0  .0013      0
Fe2     .25 .10953     .5 .033 .0086  .0102  .0078  .0078      0  .0013      0
Mg3     .25    .25     .5 .997 .0074  .0090  .0066  .0065      0 -.0007      0
Fe3     .25    .25     .5 .003 .0074  .0090  .0066  .0065      0 -.0007      0
Mg4  .08910      0     .5 .694 .0099  .0113  .0099  .0084 -.0021      0      0
Fe4  .08910      0     .5 .306 .0099  .0113  .0099  .0084 -.0021      0      0
Al5       0      0      0 .100 .0078  .0099  .0068  .0067      0      0  .0000
Fe5       0      0      0 .900 .0078  .0099  .0068  .0067      0      0  .0000
Si1  .10920 .18227 .33473      .0069  .0081  .0059  .0067 -.0002  .0001 -.0001
Si2  .39170 .11413 .16654      .0072  .0083  .0064  .0068  .0007  .0000  .0002
O2   .07852    .25  .3314      .0110  .0112  .0059  .0159      0 -.0004      0
O3   .19395 .18251  .3343      .0084  .0090  .0081  .0082 -.0007 -.0000 -.0006
O4   .30704 .11463  .1727      .0091  .0094  .0088  .0090  .0009  .0005  .0004
O5   .42215 .15204  .4110      .0109  .0106  .0120  .0100 -.0001  .0005 -.0032
O6   .07865 .15062  .0815      .0101  .0102  .0113  .0088 -.0001 -.0001 -.0029
O7   .42252 .04791  .1718      .0101  .0121  .0077  .0104  .0026  .0007  .0007
O1        0 .04359  .3220      .0109  .0159  .0060  .0108      0      0 -.0012
H         0   .077   .313        .05
F1   .30215    .25  .1643      .0113  .0130  .0103  .0106      0  .0012      0
F2   .17678 .05164  .3728      .0161  .0191  .0141  .0153 -.0043  .0013 -.0026


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