Staurolite
Alexander V D
American Mineralogist 74 (1989) 610-619
Iron distribution in staurolite at room and low temperatures
sample at low temperature (liquid N2)
_database_code_amcsd 0001246
7.871 16.587 5.661 90 90.39 90 C2/m
atom     x     y     z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Al   .3901     0 .2472 .018       0.0129 0.0048 0.0137      0 -.0003      0
Ti   .3901     0 .2472 .022       0.0129 0.0048 0.0137      0 -.0003      0
Zn   .3901     0 .2472 .163       0.0129 0.0048 0.0137      0 -.0003      0
Mg   .3901     0 .2472 .233       0.0129 0.0048 0.0137      0 -.0003      0
Fe   .3901     0 .2472 .535       0.0129 0.0048 0.0137      0 -.0003      0
Si   .1342 .1662 .2482 .902       0.0031 0.0056 0.0031 -.0001  .0000  .0000
Al   .1342 .1662 .2482 .098       0.0031 0.0056 0.0031 -.0001  .0000  .0000
Al1A    .5 .1751     0 .950       0.0017 0.0035 0.0003      0  .0000      0
Al1B    .5 .1749    .5 .960       0.0028 0.0044 0.0011      0  .0003      0
Al2  .2627 .4104 .2518 .970       0.0027 0.0048 0.0037  .0000  .0000  .0001
Al3A     0     0     0 .572       0.0079 0.0067 0.0079      0  .0023      0
Fe3A     0     0     0 .048       0.0079 0.0067 0.0079      0  .0023      0
Al3B     0     0    .5 .298       0.0043 0.0046 0.0067      0 -.0021      0
Fe3B     0     0    .5 .023       0.0043 0.0046 0.0067      0 -.0021      0
Mn1     .5     0     0 .025 .0010
Fe1     .5     0     0 .015 .0010
Mn2     .5     0    .5 .015 .0176
Fe2     .5     0    .5 .005 .0176
O1A  .2332     0 .9628            0.0107 0.0069 0.0057      0  .0017      0
OH1B .2361     0 .5339            0.0130 0.0078 0.0064      0  .0002      0
O2A  .2559 .1614 .0150            0.0051 0.0074 0.0053  .0005 -.0003  .0000
O2B  .2547 .1609 .4837            0.0060 0.0068 0.0048 -.0002  .0005  .0004
O3   .0016 .0889 .2446            0.0057 0.0087 0.0097  .0004 -.0004  .0000
O4   .0217 .2492 .2492            0.0056 0.0069 0.0050  .0005 -.0002  .0002
O5   .5270 .0996 .2496            0.0040 0.0080 0.0033 -.0014 -.0004 -.0003