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PON |
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Leger J M, Haines J, Chateau C, Bocquillon G, Schmidt M W, Hull S, |
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Gorelli F, Lesauze A, Marchand R |
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Physics and Chemistry of Minerals 28 (2001) 388-398 |
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Phosphorus oxynitride PON, a silica analogue: structure and compression |
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of the cristobalite-like phase; P-T phase diagram |
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Note: cristobalite structure type |
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_database_code_amcsd 0008557 |
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4.61865 4.61865 6.97882 90 90 90 I-42d |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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P 0 0 0 .0085 .0085 .0054 0 0 0 |
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O .13803 1/4 1/8 .5 .0098 .0098 .0135 0 0 -.0072 |
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N .13803 1/4 1/8 .5 .0098 .0098 .0135 0 0 -.0072 |
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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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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 |
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_database_code_amcsd 0008558 |
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4.757 4.757 5.2460 90 90 120 *P3_221 |
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0 0 .666666666666667 |
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atom x y z occ |
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P .4724 0 0 |
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O .4053 .2669 .1159 .5 |
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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
|
| |
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SiO2 |
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Haines J, Leger J M, Gorelli F, Hanfland M |
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Physical Review Letters 87 (2001) 155503-155503 |
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Crystalline post-quartz phase in silica at high pressure |
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Sample at ambient conditions |
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_database_code_amcsd 0015284 |
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7.66 4.10 5.03 90 117.9 90 P2_1/c |
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atom x y z |
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Si1 .5 0 0 |
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Si2 .1660 .5009 .9688 |
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O1 .0535 .2429 .6511 |
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O2 .7208 .2418 .1864 |
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O3 .3873 .2373 .6597 |
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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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