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Ca4Ge4O12 |
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Vinograd V L, Winkler B, Wilson D J, Putnis A, Gale J D |
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Physics and Chemistry of Minerals 33 (2006) 533-544 |
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Monte Carlo simulation of mixing in Ca3Fe2Ge3O12-Ca4Ge4O12 garnets and |
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implications for the thermodynamic stability of pyrope-majorite solid solution |
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Sample: XRD |
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_database_code_amcsd 0009044 |
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12.535 12.535 12.37 90 90 90 *I4_1/a |
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.5 .25 .125 |
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atom x y z |
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Ca1 .1246 .0030 .2531 |
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Ca2 0 .25 .6232 |
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Ca3 0 0 .5 |
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Ge1 0 .25 3/8 |
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Ge2 0 .25 7/8 |
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Ge3 .1265 .0151 .7572 |
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Ge4 0 0 0 |
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O1 .0309 .0662 .6713 |
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O2 .0430 .9581 .8614 |
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O3 .2226 .1108 .8055 |
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O4 .2103 .9224 .6997 |
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O5 .9328 .1668 .4663 |
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O6 .8965 .2098 .7844 |
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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
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|
Ca4Ge4O12 |
| |
Vinograd V L, Winkler B, Wilson D J, Putnis A, Gale J D |
| |
Physics and Chemistry of Minerals 33 (2006) 533-544 |
|
Monte Carlo simulation of mixing in Ca3Fe2Ge3O12-Ca4Ge4O12 garnets and |
|
implications for the thermodynamic stability of pyrope-majorite solid solution |
|
Sample: SLEC |
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_database_code_amcsd 0009045 |
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12.539 12.539 12.34 90 90 90 *I4_1/a |
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.5 .25 .125 |
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atom x y z |
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Ca1 .1251 .0076 .2567 |
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Ca2 0 .25 .6245 |
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Ca3 0 0 .5 |
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Ge1 0 .25 3/8 |
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Ge2 0 .25 7/8 |
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Ge3 .1266 .0166 .7595 |
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Ge4 0 0 0 |
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O1 .0301 .0650 .6750 |
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O2 .0460 .9622 .8639 |
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O3 .2239 .1115 .8043 |
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O4 .2089 .9234 .7043 |
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O5 .9344 .1675 .4653 |
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O6 .8964 .2164 .7873 |
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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
|
| |
|
Ca4Ge4O12 |
| |
Vinograd V L, Winkler B, Wilson D J, Putnis A, Gale J D |
| |
Physics and Chemistry of Minerals 33 (2006) 533-544 |
|
Monte Carlo simulation of mixing in Ca3Fe2Ge3O12-Ca4Ge4O12 garnets and |
|
implications for the thermodynamic stability of pyrope-majorite solid solution |
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Sample: DFT |
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_database_code_amcsd 0009046 |
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12.679 12.679 12.527 90 90 90 *I4_1/a |
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.5 .25 .125 |
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atom x y z |
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Ca1 .1243 .0045 .2527 |
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Ca2 0 .25 .6225 |
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Ca3 0 0 .5 |
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Ge1 0 .25 3/8 |
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Ge2 0 .25 7/8 |
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Ge3 .1265 .0147 .7567 |
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Ge4 0 0 0 |
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O1 .0297 .0657 .6704 |
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O2 .0417 .9562 .8601 |
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O3 .2243 .1105 .8068 |
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O4 .2123 .9211 .7004 |
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O5 .9331 .1663 .4674 |
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O6 .8973 .2090 .7836 |
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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
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