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