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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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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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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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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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Baddeleyite |
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McCullough J D, Trueblood K N |
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Acta Crystallographica 12 (1959) 507-511 |
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The crystal structure of baddeleyite (monoclinic ZrO2) |
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5.169 5.232 5.341 90 99.25 90 P2_1/c |
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atom x y z Biso |
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Zr .2758 .0404 .2089 1.0 |
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O1 .069 .342 .345 2.0 |
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O2 .451 .758 .479 1.4 |
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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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Baddeleyite |
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Smith D K, Newkirk H W |
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Acta Crystallographica 18 (1965) 983-991 |
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The crystal structure of baddeleyite (monoclinic ZrO2) |
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and its relation to the polymorphism of ZrO2 |
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5.145 5.2075 5.3107 90 99.23 90 P2_1/c |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Zr .2758 .0411 .2082 .303 .0029 -.0008 .0013 -.0003 .0016 .0003 |
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O1 .0703 .3359 .3406 .317 .0098 .0024 .0038 .0028 -.0019 -.0045 |
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O2 .4423 .7549 .4789 .229 .0102 .0025 .0017 .0013 .0020 .0007 |
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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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