|
Staurolite |
 |
Takeuchi Y, Aikawa N, Yamamoto T |
 |
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 |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
