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PON |
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Chateau C, Haines J, Leger J M, LeSauze A, Marchand R |
 |
American Mineralogist 84 (1999) 207-210 |
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A moganite-type phase in the silica analog phosphorus oxynitride |
|
_database_code_amcsd 0002089 |
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8.5173 4.7453 10.3990 90 90.00 90 I2/a |
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atom x y z occ Biso |
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P1 .25 -.0131 0 3.86 |
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P2 .0031 .2429 .1653 3.86 |
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O1 -.0050 .0602 .2904 .5 3.86 |
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N1 -.0050 .0602 .2904 .5 3.86 |
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O2 .1648 .1842 .0987 .5 3.86 |
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N2 .1648 .1842 .0987 .5 3.86 |
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O3 -.1330 .2022 .0715 .5 3.86 |
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N3 -.1330 .2022 .0715 .5 3.86 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Argutite |
 |
Haines J, Leger J M, Chateau C, Pereira A S |
| |
Physics and Chemistry of Minerals 27 (2000) 575-582 |
|
Structural evolution of rutile-type and CaCl2-type germanium dioxide |
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at high pressure |
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Sample: rutile-type, P = 0 GPa |
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_database_code_amcsd 0008431 |
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4.3966 4.3966 2.8626 90 90 90 P4_2/mnm |
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atom x y z |
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Ge 0 0 0 |
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O .3063 .3063 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Argutite |
|
Haines J, Leger J M, Chateau C, Pereira A S |
| |
Physics and Chemistry of Minerals 27 (2000) 575-582 |
|
Structural evolution of rutile-type and CaCl2-type germanium dioxide |
|
at high pressure |
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Sample: rutile-type, P = 4.2 GPa |
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_database_code_amcsd 0008432 |
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4.3751 4.3751 2.8511 90 90 90 P4_2/mnm |
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atom x y z |
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Ge 0 0 0 |
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O .3048 .3048 0 |
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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
|
| |
|
Argutite |
|
Haines J, Leger J M, Chateau C, Pereira A S |
| |
Physics and Chemistry of Minerals 27 (2000) 575-582 |
|
Structural evolution of rutile-type and CaCl2-type germanium dioxide |
|
at high pressure |
|
Sample: rutile-type, P = 6.2 GPa |
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_database_code_amcsd 0008433 |
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4.3553 4.3553 2.8463 90 90 90 P4_2/mnm |
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atom x y z |
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Ge 0 0 0 |
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O .3030 .3030 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Argutite |
|
Haines J, Leger J M, Chateau C, Pereira A S |
| |
Physics and Chemistry of Minerals 27 (2000) 575-582 |
|
Structural evolution of rutile-type and CaCl2-type germanium dioxide |
|
at high pressure |
|
Sample: rutile-type, P = 8.9 GPa |
|
_database_code_amcsd 0008434 |
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4.3417 4.3417 2.8407 90 90 90 P4_2/mnm |
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atom x y z |
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Ge 0 0 0 |
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O .3027 .3027 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Argutite |
|
Haines J, Leger J M, Chateau C, Pereira A S |
| |
Physics and Chemistry of Minerals 27 (2000) 575-582 |
|
Structural evolution of rutile-type and CaCl2-type germanium dioxide |
|
at high pressure |
|
Sample: rutile-type, P = 10.4 GPa |
|
_database_code_amcsd 0008435 |
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4.3340 4.3340 2.8376 90 90 90 P4_2/mnm |
|
atom x y z |
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Ge 0 0 0 |
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O .3035 .3035 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Argutite |
|
Haines J, Leger J M, Chateau C, Pereira A S |
| |
Physics and Chemistry of Minerals 27 (2000) 575-582 |
|
Structural evolution of rutile-type and CaCl2-type germanium dioxide |
|
at high pressure |
|
Sample: rutile-type, P = 10.5 GPa |
|
_database_code_amcsd 0008436 |
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4.3349 4.3349 2.8424 90 90 90 P4_2/mnm |
|
atom x y z |
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Ge 0 0 0 |
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O .3029 .3029 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Argutite |
|
Haines J, Leger J M, Chateau C, Pereira A S |
| |
Physics and Chemistry of Minerals 27 (2000) 575-582 |
|
Structural evolution of rutile-type and CaCl2-type germanium dioxide |
|
at high pressure |
|
Sample: rutile-type, P = 16.1 GPa |
|
_database_code_amcsd 0008437 |
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4.2980 4.2980 2.8295 90 90 90 P4_2/mnm |
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atom x y z |
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Ge 0 0 0 |
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O .2997 .2997 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Argutite |
|
Haines J, Leger J M, Chateau C, Pereira A S |
| |
Physics and Chemistry of Minerals 27 (2000) 575-582 |
|
Structural evolution of rutile-type and CaCl2-type germanium dioxide |
|
at high pressure |
|
Sample: rutile-type, P = 20.3 GPa |
|
_database_code_amcsd 0008438 |
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4.2835 4.2835 2.8193 90 90 90 P4_2/mnm |
|
atom x y z |
|
Ge 0 0 0 |
|
O .2985 .2985 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Argutite |
|
Haines J, Leger J M, Chateau C, Pereira A S |
| |
Physics and Chemistry of Minerals 27 (2000) 575-582 |
|
Structural evolution of rutile-type and CaCl2-type germanium dioxide |
|
at high pressure |
|
Sample: rutile-type, P = 25 GPa |
|
_database_code_amcsd 0008439 |
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4.2630 4.2630 2.8148 90 90 90 P4_2/mnm |
|
atom x y z |
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Ge 0 0 0 |
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O .2972 .2972 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
GeO2 |
| |
Haines J, Leger J M, Chateau C, Pereira A S |
| |
Physics and Chemistry of Minerals 27 (2000) 575-582 |
|
Structural evolution of rutile-type and CaCl2-type germanium dioxide |
|
at high pressure |
|
Sample: CaCl2-type, post-argutite, P = 28 GPa |
|
_database_code_amcsd 0008440 |
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4.2841 4.2098 2.8089 90 90 90 Pnnm |
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atom x y z |
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Ge 0 0 0 |
|
O .335 .264 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
GeO2 |
| |
Haines J, Leger J M, Chateau C, Pereira A S |
| |
Physics and Chemistry of Minerals 27 (2000) 575-582 |
|
Structural evolution of rutile-type and CaCl2-type germanium dioxide |
|
at high pressure |
|
Sample: CaCl2-type, post-argutite, P = 29 GPa |
|
_database_code_amcsd 0008441 |
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4.2852 4.1959 2.8062 90 90 90 Pnnm |
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atom x y z |
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Ge 0 0 0 |
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O .335 .262 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
GeO2 |
| |
Haines J, Leger J M, Chateau C, Pereira A S |
| |
Physics and Chemistry of Minerals 27 (2000) 575-582 |
|
Structural evolution of rutile-type and CaCl2-type germanium dioxide |
|
at high pressure |
|
Sample: CaCl2-type, post-argutite, P = 32 GPa |
|
_database_code_amcsd 0008442 |
|
4.2866 4.1742 2.7995 90 90 90 Pnnm |
|
atom x y z |
|
Ge 0 0 0 |
|
O .340 .256 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
GeO2 |
| |
Haines J, Leger J M, Chateau C, Pereira A S |
| |
Physics and Chemistry of Minerals 27 (2000) 575-582 |
|
Structural evolution of rutile-type and CaCl2-type germanium dioxide |
|
at high pressure |
|
Sample: CaCl2-type, post-argutite, P = 35 GPa |
|
Note: O y-coordinate altered from the reported value |
|
_database_code_amcsd 0008443 |
|
4.2834 4.1508 2.7941 90 90 90 Pnnm |
|
atom x y z |
|
Ge 0 0 0 |
|
O .336 .255 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
GeO2 |
| |
Haines J, Leger J M, Chateau C, Pereira A S |
| |
Physics and Chemistry of Minerals 27 (2000) 575-582 |
|
Structural evolution of rutile-type and CaCl2-type germanium dioxide |
|
at high pressure |
|
Sample: CaCl2-type, post-argutite, P = 36 GPa |
|
_database_code_amcsd 0008444 |
|
4.2814 4.1424 2.7919 90 90 90 Pnnm |
|
atom x y z |
|
Ge 0 0 0 |
|
O .335 .255 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
PON |
| |
Leger J M, Haines J, Chateau C, Bocquillon G, Schmidt M W, Hull S, |
|
Gorelli F, Lesauze A, Marchand R |
| |
Physics and Chemistry of Minerals 28 (2001) 388-398 |
|
Phosphorus oxynitride PON, a silica analogue: structure and compression |
|
of the cristobalite-like phase; P-T phase diagram |
|
Note: cristobalite structure type |
|
_database_code_amcsd 0008557 |
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4.61865 4.61865 6.97882 90 90 90 I-42d |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
P 0 0 0 .0085 .0085 .0054 0 0 0 |
|
O .13803 1/4 1/8 .5 .0098 .0098 .0135 0 0 -.0072 |
|
N .13803 1/4 1/8 .5 .0098 .0098 .0135 0 0 -.0072 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
PON |
| |
Leger J M, Haines J, Chateau C, Bocquillon G, Schmidt M W, Hull S, |
|
Gorelli F, Lesauze A, Marchand R |
| |
Physics and Chemistry of Minerals 28 (2001) 388-398 |
|
Phosphorus oxynitride PON, a silica analogue: structure and compression |
|
of the cristobalite-like phase; P-T phase diagram |
|
Note: quartz structure type |
|
_database_code_amcsd 0008558 |
|
4.757 4.757 5.2460 90 90 120 *P3_221 |
|
0 0 .666666666666667 |
|
atom x y z occ |
|
P .4724 0 0 |
|
O .4053 .2669 .1159 .5 |
|
N .4053 .2669 .1159 .5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
SiO2 |
| |
Haines J, Leger J M, Gorelli F, Hanfland M |
| |
Physical Review Letters 87 (2001) 155503-155503 |
|
Crystalline post-quartz phase in silica at high pressure |
|
Sample at ambient conditions |
|
_database_code_amcsd 0015284 |
|
7.66 4.10 5.03 90 117.9 90 P2_1/c |
|
atom x y z |
|
Si1 .5 0 0 |
|
Si2 .1660 .5009 .9688 |
|
O1 .0535 .2429 .6511 |
|
O2 .7208 .2418 .1864 |
|
O3 .3873 .2373 .6597 |
|
|
| 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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