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Schorlomite |
 |
Peterson R C, Locock A J, Luth R W |
 |
The Canadian Mineralogist 33 (1995) 627-631 |
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Positional disorder of oxygen in garnet: the crystal-structure |
|
refinement of schorlomite |
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Sample: model 1 |
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_database_code_amcsd 0005430 |
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12.157 12.157 12.157 90 90 90 Ia-3d |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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SiZ .375 0 .25 .78 .014 .011 .011 0 0 0 |
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FeZ .375 0 .25 .22 .014 .011 .011 0 0 0 |
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TiY 0 0 0 .53 .0070 .0070 .0070 .001 .001 .001 |
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FeY 0 0 0 .35 .0070 .0070 .0070 .001 .001 .001 |
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AlY 0 0 0 .07 .0070 .0070 .0070 .001 .001 .001 |
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ZrY 0 0 0 .02 .0070 .0070 .0070 .001 .001 .001 |
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MgY 0 0 0 .02 .0070 .0070 .0070 .001 .001 .001 |
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MnY 0 0 0 .01 .0070 .0070 .0070 .001 .001 .001 |
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CaX .125 0 .25 .96 .003 .008 .008 0 0 .006 |
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MgX .125 0 .25 .03 .003 .008 .008 0 0 .006 |
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NaX .125 0 .25 .01 .003 .008 .008 0 0 .006 |
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O .0368 .0488 .6528 .016 .006 .012 -.003 .009 -.002 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
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 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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SiZ .375 0 .25 .78 .017 .010 .010 0 0 0 |
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FeZ .375 0 .25 .22 .017 .010 .010 0 0 0 |
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TiY 0 0 0 .53 .0071 .0071 .0071 .001 .001 .001 |
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FeY 0 0 0 .35 .0071 .0071 .0071 .001 .001 .001 |
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AlY 0 0 0 .07 .0071 .0071 .0071 .001 .001 .001 |
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ZrY 0 0 0 .02 .0071 .0071 .0071 .001 .001 .001 |
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MgY 0 0 0 .02 .0071 .0071 .0071 .001 .001 .001 |
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MnY 0 0 0 .01 .0071 .0071 .0071 .001 .001 .001 |
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CaX .125 0 .25 .96 .000 .009 .009 0 0 .006 |
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MgX .125 0 .25 .03 .000 .009 .009 0 0 .006 |
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NaX .125 0 .25 .01 .000 .009 .009 0 0 .006 |
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O1 .0406 .0479 .6556 .5 .006 |
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O2 .521 .448 .360 .5 .006 |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Schorlomite |
|
Chakhmouradian A R, McCammon C A |
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Physics and Chemistry of Minerals 32 (2005) 277-289 |
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Schorlomite: a discussion of the crystal chemistry, formula, |
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and inter-species boundaries |
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Garnet |
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Sample: Afrikanda, Kola Peninsula, Russia |
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_database_code_amcsd 0008963 |
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12.1464 12.1464 12.1464 90 90 90 Ia3d |
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atom x y z occ Uiso |
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CaX .125 0 .25 .9663 .0110 |
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Fe2+X .125 0 .25 .0193 .0110 |
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NaX .125 0 .25 .0077 .0110 |
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MnX .125 0 .25 .0067 .0110 |
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Ti4+Y 0 0 0 .4795 .0074 |
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Fe3+Y 0 0 0 .278 .0074 |
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Fe2+Y 0 0 0 .0985 .0074 |
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MgY 0 0 0 .078 .0074 |
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ZrY 0 0 0 .040 .0074 |
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AlY 0 0 0 .0245 .0074 |
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NbY 0 0 0 .0015 .0074 |
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SiZ .375 0 .25 .7673 .0077 |
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Fe3+Z .375 0 .25 .1657 .0077 |
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AlZ .375 0 .25 .057 .0077 |
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HZ .375 0 .25 .0397 .0077 |
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O .0373 .0483 .65348 .0122 |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Schorlomite |
|
Chakhmouradian A R, McCammon C A |
| |
Physics and Chemistry of Minerals 32 (2005) 277-289 |
|
Schorlomite: a discussion of the crystal chemistry, formula, |
|
and inter-species boundaries |
|
Garnet |
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Sample: Magnet Cove alkaline complex, Hot Springs County, Arkansas |
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_database_code_amcsd 0008964 |
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12.1524 12.1524 12.1524 90 90 90 Ia3d |
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atom x y z occ Uiso |
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CaX .125 0 .25 .9717 .0097 |
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Fe2+X .125 0 .25 .0103 .0097 |
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NaX .125 0 .25 .0067 .0097 |
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MnX .125 0 .25 .0113 .0097 |
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Ti4+Y 0 0 0 .527 .0059 |
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Fe3+Y 0 0 0 .265 .0059 |
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Fe2+Y 0 0 0 .100 .0059 |
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MgY 0 0 0 .079 .0059 |
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ZrY 0 0 0 .028 .0059 |
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NbY 0 0 0 .001 .0059 |
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SiZ .375 0 .25 .7543 .0060 |
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Fe3+Z .375 0 .25 .1933 .0060 |
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AlZ .375 0 .25 .0523 .0060 |
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O .03706 .04822 .65335 .0112 |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
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