American Mineralogist Crystal Structure Database

4 matching records for this search.

Baddeleyite
Download hom/baddeleyite.pdf
Kudoh Y, Takeda H, Arashi H
 
Physics and Chemistry of Minerals 13 (1986) 233-237
In situ determination of crystal structure for high pressure
phase of ZrO2 using a diamond anvil and single crystal X-ray
diffraction method
Sample: P = 15 kbar
_database_code_amcsd 0007415
5.120 5.216 5.281 90 99.01 90 P2_1/c
atom     x     y     z Biso
Zr   .2754 .0395 .2086 1.17
O1   .0710 .3396 .3380  .78
O2   .4551 .7607 .4855 1.02
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Baddeleyite
Download hom/baddeleyite.pdf
Kudoh Y, Takeda H, Arashi H
 
Physics and Chemistry of Minerals 13 (1986) 233-237
In situ determination of crystal structure for high pressure
phase of ZrO2 using a diamond anvil and single crystal X-ray
diffraction method
Sample: P = 39 kbar, post baddeleyite structure
_database_code_amcsd 0007416
5.005 5.235 5.051 90 90 90 Pbcm
atom     x     y     z occ Biso
Zr   .2683 .0334   .25      .47
O1   .0822 .3750 .1292  .5  .16
O2   .4564   .75    .5      .05
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Baddeleyite
Download hom/baddeleyite.pdf
Kudoh Y, Takeda H, Arashi H
 
Physics and Chemistry of Minerals 13 (1986) 233-237
In situ determination of crystal structure for high pressure
phase of ZrO2 using a diamond anvil and single crystal X-ray
diffraction method
Sample: P = 51 kbar, post baddeleyite structure
_database_code_amcsd 0007417
4.992 5.229 5.046 90 90 90 Pbcm
atom     x     y     z occ Biso
Zr   .2701 .0331   .25      .49
O1   .0716 .3734 .1337  .5  .02
O2   .4570   .75    .5      .02
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Wadsleyite
Download hom/wadsleyite.pdf
Kudoh Y, Inoue T, Arashi H
 
Physics and Chemistry of Minerals 23 (1996) 461-469
Structure and crystal chemistry of hydrous wadsleyite, Mg1.75SiH0.5O4:
possible hydrous magnesium silicate in the mantle transition zone
Locality: synthetic
_database_code_amcsd 0007971
5.663 11.546 8.247 90 90 90 Imma
atom     x     y     z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1      0     0     0 .97  1.0   .023   .004   .011      0      0   .003
Mg2      0   1/4 .9694 .94   .6   .010   .008   .005      0      0      0
Mg3    1/4 .1206   1/4 .78 1.00   .013   .015   .011      0   .002      0
Si       0 .1208 .6155      .82   .010   .010   .012      0      0  -.002
OH1      0   1/4  .229       .5   .000   .009   .011      0      0      0
O2       0   1/4 .7187       .4   .009   .003   .004      0      0      0
O3       0 .9856 .2571      1.5   .026   .013   .018      0      0   .003
O4   .2607 .1242 .9949      .77   .008   .009   .012  -.014   .000   .002
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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Total number of retrieved datasets: 4
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