American Mineralogist Crystal Structure Database

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Staurolite
Download hom/staurolite.pdf
Takeuchi Y, Aikawa N, Yamamoto T
Download zk/vol136/ZK136_1.pdf
Zeitschrift fur Kristallographie 136 (1972) 1-22
The hydrogen locations and chemical composition of staurolite
Note: this paper uses Smith's structure (Am Min 53 (1968) 1139-1155)
and adds the hydrogen locations to it
_database_code_amcsd 0010731
7.879 16.635 5.664 90 90.0 90 C2/m
atom      x      y      z  occ Biso
Fe   .39281      0 .24815 .586 1.01
Al   .39281      0 .24815 .293 1.01
Ti   .39281      0 .24815 .037 1.01
Si   .13414 .16612 .24902 .928  .25
Al   .13414 .16612 .24902 .063  .25
Al1A     .5 .17511      0 .926  .29
Mg1A     .5 .17511      0 .049  .29
Al1B     .5 .17477     .5 .929  .31
Mg1B     .5 .17477     .5 .049  .31
Al2  .26356 .41042 .25122 .933  .36
Mg2  .26356 .41042 .25122 .049  .36
Al3A      0      0      0 .278  .43
Fe3A      0      0      0 .137  .43
Al3B      0      0     .5 .189  .41
Fe3B      0      0     .5 .093  .41
Fe1      .5      0      0 .054  .40
Mn1      .5      0      0 .026  .40
Fe2      .5      0     .5 .026  .40
Mn2      .5      0     .5 .012  .40
O1A  .23274      0 .96313       .68
O1B  .23438      0 .53428       .69
O2A  .25569 .16153 .01527       .49
O2B  .25519 .16127 .48391       .49
O3   .00143 .08917 .24702       .59
O4   .02156 .24925 .24925       .45
O5   .52741 .10004 .24944       .42
H1    .1218      0   .072
H2    .1218      0   .424
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