American Mineralogist Crystal Structure Database

10 matching records for this search.

CaMg2Al6O12
 
Miura H, Hamada Y, Suzuki T, Akaogi M, Miyajima N, Fujino K
Download am/vol85/AM85_1799.pdf
American Mineralogist 85 (2000) 1799-1803
Crystal structure of MaMg2Al6O12, a new Al-rich high pressure form
_database_code_amcsd 0002595
8.7616 8.7616 2.7850 90 90 120 P6_3/m
atom     x    y   z occ Biso
Ca       0    0 .25  .5  2.9
Mg     2/3  1/3 .25      1.8
Al   -.010 .342 .25      1.5
O1    .134 .601 .25      0.0
O2    .306 .197 .25      0.5
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MgAl2O4
 
Kojitani H, Hisatomi R, Akaogi M
Download am/vol92/AM92_1112.pdf
American Mineralogist 92 (2007) 1112-1118
High-pressure relations and crystal chemistry of calcium ferrite-type solid
solutions in the system MgAl2O4-Mg2SiO4
Note: synthesized from MgAl2O4 spinel at 27 GPa and 2200 C
Note: data collected at room conditinos
_database_code_amcsd 0004381
9.9498 8.6468 2.7901 90 90 90 Pbnm
atom     x     y   z Biso
Mg   .3503 .7576 .25  .64
Al1  .3854 .4388 .25  .39
Al2  .8964 .4159 .25  .30
O1   .8344 .2005 .25 1.59
O2   .5279 .1201 .25  .84
O3   .2150 .5357 .25  .88
O4   .5709 .4089 .25 1.57
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FeCr2O4
 
Ishii T, Kojitani H, Tsukamoto S, Fujino K, Mori D, Inaguma Y, Tsujino N,
Yoshino T, Yamazaki D, Higo Y, Funakoshi K, Akaogi M
 
American Mineralogist 99 (2014) 1788-1797
High-pressure phase transitions in FeCr2O4 and structure analysis of new post-
spinel FeCr2O4 and Fe2Cr2O5 phases with meteoritical and petrological implications
Locality: Synthetic
_database_code_amcsd 0020399
9.0633 2.95793 10.6391 90 90 90 Pnma
atom     x   y     z  Uiso
Fe1  .2560 .25 .3300 .0217
Cr1  .0511 .25 .6164 .0064
Cr2  .0904 .25 .0974 .0053
O1   .3083 .25 .1526 .0107
O2   .3895 .25 .4759 .0107
O3   .4481 .25 .7160 .0107
O4   .0803 .25 .4323 .0107
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Xieite
 
Ishii T, Kojitani H, Tsukamoto S, Fujino K, Mori D, Inaguma Y, Tsujino N,
Yoshino T, Yamazaki D, Higo Y, Funakoshi K, Akaogi M
 
American Mineralogist 99 (2014) 1788-1797
High-pressure phase transitions in FeCr2O4 and structure analysis of new post-
spinel FeCr2O4 and Fe2Cr2O5 phases with meteoritical and petrological implications
Locality: Synthetic
_database_code_amcsd 0020400
2.88445 9.5207 9.7532 90 90 90 Cmcm
atom x     y     z  Uiso
Fe   0 .1128   .25 .0222
Cr1  0 .3686 .0714 .0032
O1   0     0     0  .006
O2   0 .4656   .25  .008
O3   0 .2640 .6109  .008
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Fe2Cr2O5
 
Ishii T, Kojitani H, Tsukamoto S, Fujino K, Mori D, Inaguma Y, Tsujino N,
Yoshino T, Yamazaki D, Higo Y, Funakoshi K, Akaogi M
 
American Mineralogist 99 (2014) 1788-1797
High-pressure phase transitions in FeCr2O4 and structure analysis of new post-
spinel FeCr2O4 and Fe2Cr2O5 phases with meteoritical and petrological implications
Locality: Synthetic
_database_code_amcsd 0020401
9.6642 12.5000 2.9023 90 90 90 Pbam
atom     x     y  z occ   Uiso
Fe1      0     0  0  .3 .00623
Fe2      0    .5 .5  .8 .00522
Fe3  .0221 .2824  0 .35 .00883
Fe4  .2730 .3827 .5  .1 .00146
Fe5  .2432 .1306  0     .02059
Cr1      0     0  0  .7 .00623
Cr2      0    .5 .5  .2 .00522
Cr3  .0221 .2824  0 .65 .00883
Cr4  .2730 .3827 .5  .9 .00146
O1   .1423 .0237 .5     .00837
O2   .4115 .3510  0     .00837
O3   .4103 .1424 .5     .00837
O4   .1373 .4296  0     .00837
O5   .1598 .2488 .5     .00837
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SrSi2O5
 
Kojitani H, Kido M, Akaogi M
 
Physics and Chemistry of Minerals 32 (2005) 290-294
Rietveld analysis of a new high-pressure strontium silicate SrSi2O5
BaGe2O5 III-type structure
_database_code_amcsd 0008965
5.2389 9.2803 13.4406 90 90 90 Cmca
atom     x     y     z Biso
Sr       0 .3404 .0827 1.35
Si1      0 .6753 .1821  .81
Si2      0 .0058 .1377  .30
O1       0 .5148 .2480 1.53
O2       0 .8320 .1029    0
O3     .25 .2427   .25  .66
O4   .2517 .0896 .0965  .42
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Bridgmanite
 
Kojitani H, Katsura T, Akaogi M
 
Physics and Chemistry of Minerals 34 (2007) 257-267
Aluminum substitution mechanisms in perovskite-type MgSiO3: an investigation by Rietveld analysis
Sample: Nonstoichiometric with xAl = 0.05
Locality: synthetic
_database_code_amcsd 0009078
4.7785 4.9326 6.9059 90 90 90 Pbnm
atom     x     y     z  occ Biso
Mg   .9863 .0530   .25  .99 1.00
Al   .9863 .0530   .25  .01 1.00
Si       0    .5     0  .96  .36
Al       0    .5     0  .04  .36
O1   .1006 .4662   .25 .995 1.05
O2   .6983 .2958 .0538 .995  .85
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Bridgmanite
 
Kojitani H, Katsura T, Akaogi M
 
Physics and Chemistry of Minerals 34 (2007) 257-267
Aluminum substitution mechanisms in perovskite-type MgSiO3: an investigation by Rietveld analysis
Sample: Nonstoichiometric with xAl = 0.10
Locality: synthetic
_database_code_amcsd 0009079
4.7769 4.9336 6.9085 90 90 90 Pbnm
atom     x     y     z  occ Biso
Mg   .9886 .0561   .25  .97  .30
Al   .9886 .0561   .25  .03  .30
Si       0    .5     0  .93  .15
Al       0    .5     0  .07  .15
O1   .1058 .4628   .25 .993  .82
O2   .6983 .2967 .0533 .993  .65
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Bridgmanite
 
Kojitani H, Katsura T, Akaogi M
 
Physics and Chemistry of Minerals 34 (2007) 257-267
Aluminum substitution mechanisms in perovskite-type MgSiO3: an investigation by Rietveld analysis
Sample: Stoichiometric with xAl = 0.05
Locality: synthetic
_database_code_amcsd 0009080
4.7783 4.9327 6.9051 90 90 90 Pbnm
atom     x     y     z  occ Biso
Mg   .9848 .0556   .25 .975  .69
Al   .9847 .0548   .25 .025  .69
Si       0    .5     0 .975  .76
Al       0    .5     0 .025  .76
O1   .1058 .4640   .25        .9
O2   .6944 .2986 .0529        .9
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Bridgmanite
 
Kojitani H, Katsura T, Akaogi M
 
Physics and Chemistry of Minerals 34 (2007) 257-267
Aluminum substitution mechanisms in perovskite-type MgSiO3: an investigation by Rietveld analysis
Sample: Stoichiometric with xAl = 0.10
Locality: synthetic
_database_code_amcsd 0009081
4.7767 4.9342 6.9130 90 90 90 Pbnm
atom     x     y     z  occ Biso
Mg   .9727 .0462   .25  .95  .59
Al   .9727 .0462   .25  .05  .59
Si       0    .5     0  .95  .34
Al       0    .5     0  .05  .34
O1   .1079 .4481   .25        .9
O2   .6955 .2978 .0570        .9
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Total number of retrieved datasets: 10
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