American Mineralogist Crystal Structure Database

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Leucite
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Mazzi F, Galli E, Gottardi G
American Mineralogist 61 (1976) 108-115
The crystal structure of tetragonal leucite
_database_code_amcsd 0000496
13.090 13.090 13.750 90 90 90 *I4_1/a
0 .25 .125
atom     x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
K    .3660 .3645 .1147      .0039  .0046  .0090 -.0006  .0000 -.0015
Al1  .0579 .3964 .1666 .32  .0015  .0010  .0013 -.0001 -.0001 -.0002
Al2  .1676 .6115 .1283 .32  .0012  .0014  .0011 -.0002 -.0001  .0003
Al3  .3924 .6418 .0860 .32  .0013  .0016  .0012  .0001  .0000 -.0002
Si1  .0579 .3964 .1666 .68  .0015  .0010  .0013 -.0001 -.0001 -.0002
Si2  .1676 .6115 .1283 .68  .0012  .0014  .0011 -.0002 -.0001  .0003
Si3  .3924 .6418 .0860 .68  .0013  .0016  .0012  .0001  .0000 -.0002
O1   .1318 .3131 .1100      .0042  .0025  .0033  .0000  .0006 -.0007
O2   .0921 .5107 .1303      .0039  .0024  .0036 -.0012  .0001  .0002
O3   .1453 .6798 .2275      .0033  .0030  .0016 -.0006  .0000 -.0001
O4   .1333 .6841 .0354      .0029  .0033  .0018  .0015  .0005  .0007
O5   .2900 .5772 .1205      .0023  .0025  .0035  .0007 -.0005  .0002
O6   .4826 .6174 .1667      .0027  .0026  .0026 -.0007  .0000  .0005
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