American Mineralogist Crystal Structure Database

38 matching records for this search.

Cristobalite
Download hom/cristobalite.pdf
Downs R T, Palmer D C
Download am/vol79/AM79_9.pdf
American Mineralogist 79 (1994) 9-14
The pressure behavior of alpha cristobalite
P = room pressure
_database_code_amcsd 0001629
4.9717 4.9717 6.9223 90 90 90 P4_12_12
atom      x      y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Si   .30028 .30028     0  .0077  .0077 .00401 -.0003  .0008 -.0008
O     .2392  .1044 .1787  .0244  .0086  .0062 -.0013  .0027  .0005
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View JMOL 3-D Structure
 
Cristobalite
Download hom/cristobalite.pdf
Downs R T, Palmer D C
Download am/vol79/AM79_9.pdf
American Mineralogist 79 (1994) 9-14
The pressure behavior of alpha cristobalite
P = 0.19 GPa
_database_code_amcsd 0001630
4.9501 4.9501 6.8760 90 90 90 P4_12_12
atom     x     y     z Biso
Si   .3027 .3027     0  .80
O    .2388 .1086 .1817 1.22
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Cristobalite
Download hom/cristobalite.pdf
Downs R T, Palmer D C
Download am/vol79/AM79_9.pdf
American Mineralogist 79 (1994) 9-14
The pressure behavior of alpha cristobalite
P = 0.73 GPa
_database_code_amcsd 0001631
4.9028 4.9028 6.7782 90 90 90 P4_12_12
atom     x     y     z Biso
Si   .3086 .3086     0  .63
O    .2364 .1198 .1870 1.07
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Cristobalite
Download hom/cristobalite.pdf
Downs R T, Palmer D C
Download am/vol79/AM79_9.pdf
American Mineralogist 79 (1994) 9-14
The pressure behavior of alpha cristobalite
P = 1.05 GPa
_database_code_amcsd 0001632
4.8757 4.8757 6.7163 90 90 90 P4_12_12
atom     x     y     z Biso
Si   .3125 .3125     0  .51
O    .2356 .1269 .1904 1.12
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Cristobalite
Download hom/cristobalite.pdf
Matsui M, Sato T, Funamori N
 
American Mineralogist 99 (2014) 184-189
Crystal structures and stabilities of cristobalite-helium phases at high pressures
Note: P = 10 GPa
Locality: calculated structure
_database_code_amcsd 0020170
8.062 4.797 9.491 90 120.43 90 P2_1/c
atom     x     y     z
Si1  .6234 .3883 .8382
Si2  .8726 .1215 .7119
O1   .8001 .2641 .8249
O2   .6910 .4121 .0293
O3   .4354 .1912 .7477
O4   .0373 .3184 .7146
He1  .6328 .5935 .5320
He2  .1379 .3315 .5136
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Cristobalite
Download hom/cristobalite.pdf
Matsui M, Sato T, Funamori N
 
American Mineralogist 99 (2014) 184-189
Crystal structures and stabilities of cristobalite-helium phases at high pressures
Note: P = 4 GPa
Locality: calculated structure
_database_code_amcsd 0020171
9.080 9.080 9.080 31.809 31.809 31.809 R-3c
atom     x     y     z
Si   .5622 .5622 .5622
O1      .5    .5    .5
O2   .8523 .6477   .25
He   .8234 .8234 .8234
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Cristobalite
Download hom/cristobalite.pdf
Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T
 
Physics and Chemistry of Minerals 38 (2011) 517-529
New insights into the high-pressure polymorphism of SiO2 cristobalite
Note: P = 0.2 GPa
Locality: Ellora Caves, India
_database_code_amcsd 0018342
4.9501 4.9501 6.9259 90 90 90 P4_12_12
atom     x     y     z  Uiso
Si   .3027 .3027     0 .0101
O    .2388 .1086 .1817  .015
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Cristobalite
Download hom/cristobalite.pdf
Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T
 
Physics and Chemistry of Minerals 38 (2011) 517-529
New insights into the high-pressure polymorphism of SiO2 cristobalite
Note: P = 0.6 GPa
Locality: Ellora Caves, India
_database_code_amcsd 0018343
4.908 4.908 6.784 90 90 90 P4_12_12
atom     x     y     z Uiso
Si   .3083 .3083     0 .018
O    .2387 .1161 .1865 .011
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Cristobalite
Download hom/cristobalite.pdf
Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T
 
Physics and Chemistry of Minerals 38 (2011) 517-529
New insights into the high-pressure polymorphism of SiO2 cristobalite
Note: P = 3.6 GPa
Locality: Ellora Caves, India
_database_code_amcsd 0018344
4.746 4.746 6.445 90 90 90 P4_12_12
atom     x     y     z Uiso
Si   .3237 .3237     0 .012
O    .2338 .1546 .1992 .010
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Cristobalite
Download hom/cristobalite.pdf
Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T
 
Physics and Chemistry of Minerals 38 (2011) 517-529
New insights into the high-pressure polymorphism of SiO2 cristobalite
Note: P = 5.4 GPa
Locality: Ellora Caves, India
_database_code_amcsd 0018345
4.682 4.682 6.311 90 90 90 P4_12_12
atom     x     y     z Uiso
Si   .3316 .3316     0 .009
O    .2297 .1648 .2119 .005
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Cristobalite
Download hom/cristobalite.pdf
Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T
 
Physics and Chemistry of Minerals 38 (2011) 517-529
New insights into the high-pressure polymorphism of SiO2 cristobalite
Note: P = 7.3 GPa
Locality: Ellora Caves, India
_database_code_amcsd 0018346
4.632 4.632 6.209 90 90 90 P4_12_12
atom     x     y     z Uiso
Si   .3353 .3353     0 .007
O    .2276 .1768 .2228 .008
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Cristobalite
Download hom/cristobalite.pdf
Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T
 
Physics and Chemistry of Minerals 38 (2011) 517-529
New insights into the high-pressure polymorphism of SiO2 cristobalite
Note: P = 9.1 GPa
Locality: Ellora Caves, India
_database_code_amcsd 0018347
4.599 4.599 6.130 90 90 90 P4_12_12
atom     x     y     z Uiso
Si   .3396 .3396     0 .014
O    .2238 .1800 .2164 .011
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Cristobalite II
 
Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T
 
Physics and Chemistry of Minerals 38 (2011) 517-529
New insights into the high-pressure polymorphism of SiO2 cristobalite
Note: P = 3.5 GPa, data transformed from Dove et al (2000)
_database_code_amcsd 0018348
8.011 4.544 8.890 90 121.0 90 P2_1/c
atom     x     y     z Uiso
Si1  .6274 .2661 .8461 .018
Si2  .8660 .0221 .7189 .018
O1   .8152 .1255 .8517 .028
O2   .6944 .4046 .0275 .028
O3   .4637 .0262 .7952 .028
O4   .0696 .1948 .7604 .028
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Cristobalite II
 
Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T
 
Physics and Chemistry of Minerals 38 (2011) 517-529
New insights into the high-pressure polymorphism of SiO2 cristobalite
Note: P = 4.9 GPa
Note z-coordinate of O2 is corrected
Locality: Ellora Caves, India
_database_code_amcsd 0018349
8.011 4.544 8.890 90 121.0 90 P2_1/c
atom     x     y     z Uiso
Si1  .6265 .2742 .8472 .011
Si2  .8757 .0079 .7218 .014
O1   .8110 .1122 .8606 .015
O2   .6980 .4261 .0330 .019
O3   .4636 .0326 .8042 .011
O4   .0665 .1704 .7533 .016
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Cristobalite II
 
Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T
 
Physics and Chemistry of Minerals 38 (2011) 517-529
New insights into the high-pressure polymorphism of SiO2 cristobalite
Note: P = 7.4 GPa
Locality: Ellora Caves, India
_database_code_amcsd 0018350
7.894 4.456 8.582 90 119.7 90 P2_1/c
atom     x     y     z Uiso
Si1  .6274 .2767 .8492 .008
Si2  .8757 .9875 .7260 .011
O1   .8107 .1082 .8680 .008
O2   .6889 .4490 .0333 .017
O3   .4534 .0338 .8043 .016
O4   .0689 .1382 .7504 .014
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Cristobalite II
 
Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T
 
Physics and Chemistry of Minerals 38 (2011) 517-529
New insights into the high-pressure polymorphism of SiO2 cristobalite
Note: P = 10.1 GPa
Locality: Ellora Caves, India
_database_code_amcsd 0018351
7.803 4.382 8.366 90 118.7 90 P2_1/c
atom     x     y     z Uiso
Si1  .6258 .2822 .8522 .010
Si2  .8769 .9612 .7287 .008
O1   .8230 .1155 .8780 .020
O2   .6839 .4673 .0384 .010
O3   .4551 .0478 .8067 .018
O4   .0670 .1033 .7402 .027
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Cristobalite high
 
Wyckoff R
 
Zeitschrift fur Kristallographie 62 (1925) 189-200
Die Kristallstruktur von $-beta-Crystobalit Si O2 (bei hohen
Temperaturen stabile Form).
_cod_database_code 1010944
_database_code_amcsd 0017665
7.12 7.12 7.12 90 90 90 Fd3m
atom    x    y    z
Si1     0    0    0
O1   .125 .125 .125
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Cristobalite low
 
Nieuwenkamp W
 
Zeitschrift fur Kristallographie 92 (1935) 82-88
Die Kristallstruktur des Tief-Cristobalits Si O2
_cod_database_code 1010938
_database_code_amcsd 0017659
4.964 4.964 6.920 90 90 90 P4_12_12
atom    x    y    z
Si1  .300 .300    0
O1   .245  .10 .175
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Cristobalite
Download hom/cristobalite.pdf
Dollase W A
Download zk/vol121/ZK121_369.pdf
Zeitschrift fur Kristallographie 121 (1965) 369-377
Reinvestigation of the structure of low cristobalite
Locality: Ellora, Hyderabad, India
_database_code_amcsd 0010623
4.978 4.978 6.948 90 90 90 P4_12_12
atom      x      y      z Biso
Si   .30004 .30004      0  .83
O    .23976 .10324 .17844 1.55
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Cristobalite
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Peacor D R
Download zk/vol138/ZK138_274.pdf
Zeitschrift fur Kristallographie 138 (1973) 274-298
High-temperature single-crystal study of the cristobalite inversion
Note: Cell has been corrected
Sample: T = 28 C
Locality: Ellora Caves, Hyderabad State, India
_database_code_amcsd 0010747
4.979 4.979 6.950 90 90 90 P4_12_12
atom        x        y       z   B(1,1)   B(2,2)   B(3,3)    B(1,2)   B(1,3)   B(2,3)
Si   .3001705 .3001705       0 .0072851 .0072851 .0042809  .0002128   .00042  -.00042
O    .2394414  .104921 .178516 .0238455 .0068376 .0064327 -.0011804 .0026112 .0006267
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Cristobalite
Download hom/cristobalite.pdf
Peacor D R
Download zk/vol138/ZK138_274.pdf
Zeitschrift fur Kristallographie 138 (1973) 274-298
High-temperature single-crystal study of the cristobalite inversion
Note: Cell has been corrected
Sample: T = 65 C
Locality: Ellora Caves, Hyderabad State, India
_database_code_amcsd 0010748
4.982 4.982 6.963 90 90 90 P4_12_12
atom        x        y        z   B(1,1)   B(2,2)   B(3,3)    B(1,2)   B(1,3)    B(2,3)
Si   .2989738 .2989738        0 .0083606 .0083606 .0043347  .0002178 .0007864 -.0007864
O    .2398881 .1034721 .1781282  .029402 .0080395  .007507 -.0005712 .0036517  .0022305
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Cristobalite
Download hom/cristobalite.pdf
Peacor D R
Download zk/vol138/ZK138_274.pdf
Zeitschrift fur Kristallographie 138 (1973) 274-298
High-temperature single-crystal study of the cristobalite inversion
Note: Cell has been corrected
Sample: T = 103 C
Locality: Ellora Caves, Hyderabad State, India
_database_code_amcsd 0010749
4.986 4.986 6.977 90 90 90 P4_12_12
atom        x        y       z   B(1,1)   B(2,2)   B(3,3)    B(1,2)   B(1,3)    B(2,3)
Si   .2988222 .2988222       0 .0090977 .0090977  .005084  .0001332 .0007865 -.0007865
O    .2407835  .101708 .176626 .0321369 .0113286 .0081336 -.0002324 .0034432  .0022964
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Cristobalite
Download hom/cristobalite.pdf
Peacor D R
Download zk/vol138/ZK138_274.pdf
Zeitschrift fur Kristallographie 138 (1973) 274-298
High-temperature single-crystal study of the cristobalite inversion
Note: Cell has been corrected
Sample: T = 142 C
Locality: Ellora Caves, Hyderabad State, India
_database_code_amcsd 0010750
4.989 4.989 6.991 90 90 90 P4_12_12
atom        x        y        z   B(1,1)   B(2,2)   B(3,3)    B(1,2)   B(1,3)    B(2,3)
Si    .297673  .297673        0 .0102561 .0102561 .0054842 -.0002928 .0008236 -.0008236
O    .2410227 .0999381 .1760246 .0341635 .0116554 .0089425 -.0017053 .0047251  .0025348
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Cristobalite
Download hom/cristobalite.pdf
Peacor D R
Download zk/vol138/ZK138_274.pdf
Zeitschrift fur Kristallographie 138 (1973) 274-298
High-temperature single-crystal study of the cristobalite inversion
Note: Cell has been corrected
Sample: T = 179 C
Locality: Ellora Caves, Hyderabad State, India
_database_code_amcsd 0010751
4.993 4.993 7.005 90 90 90 P4_12_12
atom        x        y        z   B(1,1)   B(2,2)   B(3,3)    B(1,2)   B(1,3)    B(2,3)
Si   .2966494 .2966494        0 .0117442 .0117442 .0060576  .0002363 .0012906 -.0012906
O    .2406035 .0965985 .1746805 .0402564 .0141191 .0109623 -.0011189 .0056556  .0022687
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Cristobalite
Download hom/cristobalite.pdf
Peacor D R
Download zk/vol138/ZK138_274.pdf
Zeitschrift fur Kristallographie 138 (1973) 274-298
High-temperature single-crystal study of the cristobalite inversion
Note: Cell has been corrected
Sample: T = 210 C
Locality: Ellora Caves, Hyderabad State, India
_database_code_amcsd 0010752
4.996 4.996 7.016 90 90 90 P4_12_12
atom        x        y       z   B(1,1)   B(2,2)   B(3,3)   B(1,2)   B(1,3)    B(2,3)
Si   .2952486 .2952486       0 .0121174 .0121174 .0065208 .0000759 .0010809 -.0010809
O     .240604 .0951468 .174822 .0425299 .0123629 .0119865 .0001831 .0044144  .0024522
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Cristobalite
Download hom/cristobalite.pdf
Peacor D R
Download zk/vol138/ZK138_274.pdf
Zeitschrift fur Kristallographie 138 (1973) 274-298
High-temperature single-crystal study of the cristobalite inversion
Sample: T = 221 C
Locality: Ellora Caves, Hyderabad State, India
_database_code_amcsd 0010753
7.166 7.166 7.166 90 90 90 *Fd3m
.125 .125 .125
atom    x        y         z occ   B(1,1)   B(2,2)   B(3,3)  B(1,2)  B(1,3)    B(2,3)
Si   .125     .125      .125     .0162381 .0162381 .0162381       0       0         0
O       0 .0443541 -.0443541 1/6 .0146814 .0181157 .0181157 .001317 .001317 -.0010763
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Cristobalite
Download hom/cristobalite.pdf
Peacor D R
Download zk/vol138/ZK138_274.pdf
Zeitschrift fur Kristallographie 138 (1973) 274-298
High-temperature single-crystal study of the cristobalite inversion
Sample: T = 221 C
Locality: Ellora Caves, Hyderabad State, India
_database_code_amcsd 0010754
7.166 7.166 7.166 90 90 90 *Fd3m
.125 .125 .125
atom    x    y    z   B(1,1)   B(2,2)   B(3,3)  B(1,2)  B(1,3)    B(2,3)
Si   .125 .125 .125 .0162381 .0162381 .0162381       0       0         0
O       0    0    0   .06814 .0181157 .0181157 .001317 .001317 -.0010763
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Cristobalite
Download hom/cristobalite.pdf
Peacor D R
Download zk/vol138/ZK138_274.pdf
Zeitschrift fur Kristallographie 138 (1973) 274-298
High-temperature single-crystal study of the cristobalite inversion
Sample: T = 248 C
Locality: Ellora Caves, Hyderabad State, India
_database_code_amcsd 0010755
7.166 7.166 7.166 90 90 90 *Fd3m
.125 .125 .125
atom    x        y         z occ   B(1,1)   B(2,2)   B(3,3)    B(1,2)    B(1,3)   B(2,3)
Si   .125     .125      .125     .0159539 .0159539 .0159539         0         0        0
O       0 .0434926 -.0434926 1/6 .0166087 .0179334 .0179334 -.0005023 -.0005023 .0013341
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Cristobalite
Download hom/cristobalite.pdf
Peacor D R
Download zk/vol138/ZK138_274.pdf
Zeitschrift fur Kristallographie 138 (1973) 274-298
High-temperature single-crystal study of the cristobalite inversion
Sample: T = 273 C
Locality: Ellora Caves, Hyderabad State, India
_database_code_amcsd 0010756
7.166 7.166 7.166 90 90 90 *Fd3m
.125 .125 .125
atom    x        y         z occ   B(1,1)   B(2,2)   B(3,3) B(1,2) B(1,3)   B(2,3)
Si   .125     .125      .125     .0164593 .0164593 .0164593      0      0        0
O       0 .0439802 -.0439802 1/6 .0168975 .0195017 .0195017 .00015 .00015 -.001573
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Cristobalite
Download hom/cristobalite.pdf
Peacor D R
Download zk/vol138/ZK138_274.pdf
Zeitschrift fur Kristallographie 138 (1973) 274-298
High-temperature single-crystal study of the cristobalite inversion
Sample: T = 310 C
Locality: Ellora Caves, Hyderabad State, India
_database_code_amcsd 0010757
7.166 7.166 7.166 90 90 90 *Fd3m
.125 .125 .125
atom    x        y         z occ   B(1,1)   B(2,2)   B(3,3)    B(1,2)    B(1,3)   B(2,3)
Si   .125     .125      .125     .0162266 .0162266 .0162266         0         0        0
O       0 .0426811 -.0426811 1/6 .0191835 .0190393 .0190393 -.0002151 -.0002151 .0001448
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Cristobalite high
 
Wyckoff R
 
American Journal of Science 9 (1925) 448-459
The crystal structure of the high temperature form of Cristobalite (SiO2)
_cod_database_code 1010954
_database_code_amcsd 0017674
7.12 7.12 7.12 90 90 90 F4_132
atom    x    y    z
Si1     0    0    0
O1   .125 .125 .125
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Cristobalite high
 
Barth T
 
American Journal of Science 23 (1932) 350-356
The Cristobalite Structures. I. High-Cristobalite
_cod_database_code 1010921
_database_code_amcsd 0017646
7.16 7.16 7.16 90 90 90 P2_13
atom     x     y     z
Si1   .255  .255  .255
Si2  -.008 -.008 -.008
O1    .125  .125  .125
O2    .660  .660  .062
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Cristobalite
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Pluth J J, Smith J V, Faber J
 
Journal of Applied Physics 57 (1985) 1045-1049
Crystal structure of low cristobalite at 10, 293, and 473 K:
Variation of framework geometry with temperature
Sample: T = 10 K
Locality: synthetic
_database_code_amcsd 0012928
4.9570 4.9570 6.8903 90 90 90 P4_12_12
atom     x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Si   .3047 .3047     0  .0015  .0015  .0012  .0004  .0005 -.0005
O    .2381 .1109 .1826  .0073  .0004  .0022 -.0006  .0006  .0013
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Cristobalite
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Pluth J J, Smith J V, Faber J
 
Journal of Applied Physics 57 (1985) 1045-1049
Crystal structure of low cristobalite at 10, 293, and 473 K:
Variation of framework geometry with temperature
Sample: T = 296 K
Locality: synthetic
_database_code_amcsd 0012929
4.9709 4.9709 6.9278 90 90 90 P4_12_12
atom     x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Si   .3005 .3005     0 .0104  .0104   .0056  .0019  .0002 -.0002
O    .2392 .1037 .1786 .0319  .0069   .0090 -.0030  .0017  .0037
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Cristobalite
Download hom/cristobalite.pdf
Pluth J J, Smith J V, Faber J
 
Journal of Applied Physics 57 (1985) 1045-1049
Crystal structure of low cristobalite at 10, 293, and 473 K:
Variation of framework geometry with temperature
Sample: T = 473 K
Locality: synthetic
_database_code_amcsd 0012930
4.9877 4.9877 6.9697 90 90 90 P4_12_12
atom     x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Si   .2949 .2949     0  .0139  .0139  .0077  .0000 -.0006  .0006
O    .2416 .0968 .1747  .0466  .0106  .0128 -.0022  .0089  .0052
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Cristobalite
Download hom/cristobalite.pdf
Gibbs G V, Boisen M B, Downs R T, Lasaga A C
 
Materials Research Society Symposia Proceedings 121 (1988) 155-165
Mathematical Modeling of the structures and bulk moduli of TX2 quartz
and cristobalite structure types, T = C, Si, Ge and X = O, S
Locality: theoretical
_database_code_amcsd 0018754
4.973 4.973 6.627 90 90 90 P4_12_12
atom    x    y    z
Si   .312 .312    0
O    .234 .123 .192
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Cristobalite
Download hom/cristobalite.pdf
Dove M T, Craig M S, Keen D A, Marshall W G, Redfern S A T, Trachenko K O, Tucker M G
Download mm/vol64/MM64_569.pdf
Mineralogical Magazine 64 (2000) 569-576
Crystal structure of the high-pressure monoclinic phase-II of cristobalite, SiO2
Locality: synthetic
Note: P = 3.5 GPa, refinement by unconstrained Rietveld analysis
_database_code_amcsd 0014541
8.3780 4.6018 9.0568 90 124.949 90 P2_1/c
atom     x     y     z   Uiso
Si1  .3726 .7339 .2187 -.0018
Si2  .1340 .9779 .8529 -.0018
O1   .1848 .8745 .0365  .0028
O2   .3056 .5954 .3331  .0028
O3   .5363 .9738 .3315  .0028
O4   .9304 .8052 .6908  .0028
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Cristobalite
Download hom/cristobalite.pdf
Dove M T, Craig M S, Keen D A, Marshall W G, Redfern S A T, Trachenko K O, Tucker M G
Download mm/vol64/MM64_569.pdf
Mineralogical Magazine 64 (2000) 569-576
Crystal structure of the high-pressure monoclinic phase-II of cristobalite, SiO2
Locality: synthetic
Note: P = 3.5 GPa, refinement by constrained Rietveld analysis
_database_code_amcsd 0014542
8.3769 4.6020 9.0583 90 124.939 90 P2_1/c
atom     x     y     z   Uiso
Si1  .3725 .7310 .2145 -.0003
Si2  .1207 .9699 .8403 -.0003
O1   .1859 .8645 .0351  .0044
O2   .2997 .5912 .3276  .0044
O3   .5296 .9791 .3297  .0044
O4    .927 .8089 .6839  .0044
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Total number of retrieved datasets: 38
View in amc, download in amc


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