|
Schorlomite |
 |
Peterson R C, Locock A J, Luth R W |
 |
The Canadian Mineralogist 33 (1995) 627-631 |
|
Positional disorder of oxygen in garnet: the crystal-structure |
|
refinement of schorlomite |
|
Sample: model 1 |
|
_database_code_amcsd 0005430 |
|
12.157 12.157 12.157 90 90 90 Ia-3d |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
SiZ .375 0 .25 .78 .014 .011 .011 0 0 0 |
|
FeZ .375 0 .25 .22 .014 .011 .011 0 0 0 |
|
TiY 0 0 0 .53 .0070 .0070 .0070 .001 .001 .001 |
|
FeY 0 0 0 .35 .0070 .0070 .0070 .001 .001 .001 |
|
AlY 0 0 0 .07 .0070 .0070 .0070 .001 .001 .001 |
|
ZrY 0 0 0 .02 .0070 .0070 .0070 .001 .001 .001 |
|
MgY 0 0 0 .02 .0070 .0070 .0070 .001 .001 .001 |
|
MnY 0 0 0 .01 .0070 .0070 .0070 .001 .001 .001 |
|
CaX .125 0 .25 .96 .003 .008 .008 0 0 .006 |
|
MgX .125 0 .25 .03 .003 .008 .008 0 0 .006 |
|
NaX .125 0 .25 .01 .003 .008 .008 0 0 .006 |
|
O .0368 .0488 .6528 .016 .006 .012 -.003 .009 -.002 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Schorlomite |
|
Peterson R C, Locock A J, Luth R W |
|
The Canadian Mineralogist 33 (1995) 627-631 |
|
Positional disorder of oxygen in garnet: the crystal-structure |
|
refinement of schorlomite |
|
Sample: model 2, split oxygen |
|
_database_code_amcsd 0005431 |
|
12.157 12.157 12.157 90 90 90 Ia-3d |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
SiZ .375 0 .25 .78 .017 .010 .010 0 0 0 |
|
FeZ .375 0 .25 .22 .017 .010 .010 0 0 0 |
|
TiY 0 0 0 .53 .0071 .0071 .0071 .001 .001 .001 |
|
FeY 0 0 0 .35 .0071 .0071 .0071 .001 .001 .001 |
|
AlY 0 0 0 .07 .0071 .0071 .0071 .001 .001 .001 |
|
ZrY 0 0 0 .02 .0071 .0071 .0071 .001 .001 .001 |
|
MgY 0 0 0 .02 .0071 .0071 .0071 .001 .001 .001 |
|
MnY 0 0 0 .01 .0071 .0071 .0071 .001 .001 .001 |
|
CaX .125 0 .25 .96 .000 .009 .009 0 0 .006 |
|
MgX .125 0 .25 .03 .000 .009 .009 0 0 .006 |
|
NaX .125 0 .25 .01 .000 .009 .009 0 0 .006 |
|
O1 .0406 .0479 .6556 .5 .006 |
|
O2 .521 .448 .360 .5 .006 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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