American Mineralogist Crystal Structure Database

9 matching records for this search.

Baddeleyite
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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
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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 = 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
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View JMOL 3-D Structure (permalink)
 
Baddeleyite
Download hom/baddeleyite.pdf
McCullough J D, Trueblood K N
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0365-110X&volume=12&spage=507
Acta Crystallographica 12 (1959) 507-511
The crystal structure of baddeleyite (monoclinic ZrO2)
_database_code_amcsd 0009231
5.169 5.232 5.341 90 99.25 90 P2_1/c
atom     x     y     z Biso
Zr   .2758 .0404 .2089  1.0
O1    .069  .342  .345  2.0
O2    .451  .758  .479  1.4
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Baddeleyite
Download hom/baddeleyite.pdf
Smith D K, Newkirk H W
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0365-110X&volume=18&spage=983
Acta Crystallographica 18 (1965) 983-991
The crystal structure of baddeleyite (monoclinic ZrO2)
and its relation to the polymorphism of ZrO2
_database_code_amcsd 0009296
5.145 5.2075 5.3107 90 99.23 90 P2_1/c
atom     x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Zr   .2758 .0411 .2082 .303  .0029 -.0008  .0013 -.0003  .0016  .0003
O1   .0703 .3359 .3406 .317  .0098  .0024  .0038  .0028 -.0019 -.0045
O2   .4423 .7549 .4789 .229  .0102  .0025  .0017  .0013  .0020  .0007
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Baddeleyite
Download hom/baddeleyite.pdf
Howard C J, Hill R J, Reichert B E
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=44&spage=116
Acta Crystallographica B44 (1988) 116-120
Structures of the ZrO2 polymorphs at room temperature
by high-resolution neutron powder diffraction
Locality: synthetic
_database_code_amcsd 0019229
5.1505 5.2116 5.3173 90 99.230 90 P2_1/c
atom     x     y     z Biso
Zr   .2754 .0395 .2083  .33
O1   .0700 .3317 .3447  .55
O2   .4496 .7569 .4792  .46
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Baddeleyite
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Naray-Szabo S
 
Zeitschrift fur Kristallographie 94 (1936) 414-416
Zur Struktur des Baddeleyits Zr O2
_cod_database_code 1010912
_database_code_amcsd 0017640
5.21 5.26 5.37 90 80.53 90 P2_1/c
atom    x   y   z
Zr1     0   0   0
Zr2    .5  .5   0
O1     .2 .22 .21
O2   .288 .75 .21
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Baddeleyite
Download hom/baddeleyite.pdf
Kisi E H, Howard C J, Hill R J
 
Journal of the American Ceramic Society 72 (1989) 1757-1760
Crystal structure of orthorhombic zirconia in partially stabilized zirconia
Note: distorted polymorph of baddeleyite
_database_code_amcsd 0014064
5.068 5.260 5.077 90 90 90 Pbc2_1
atom    x    y    z Biso
Zr   .267 .030 .250   .4
O1   .068 .361 .106   .8
O2   .537 .229    0   .2
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Baddeleyite
Download hom/baddeleyite.pdf
Swamy V, Dubrovinsky L S, Dubrovinskaia N A, Langenhorst F,
Simionovici A S, Drakopoulos M, Dmitriev V, Weber H P
 
Solid State Communications 134 (2005) 541-546
Size effects on the structure and phase transition behavior of baddeleyite TiO2
Locality: synthetic
_database_code_amcsd 0015497
4.589 4.849 4.736 90 98.6 90 P2_1/c
atom    x    y    z
Ti1  .309 .045 .218
O1   .056 .347 .282
O2   .425 .727 .463
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 9
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