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Kyanite |
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Comodi P, Zanazzi P F, Poli S, Schmidt M W |
 |
American Mineralogist 82 (1997) 452-459 |
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High-pressure behavior of kyanite: Compressibility and structural deformation |
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Sample: P = 0.001 kbar, in air |
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_database_code_amcsd 0001887 |
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7.124 7.856 5.577 89.99 101.15 105.95 P-1 |
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atom x y z Uiso |
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Si1 .2963 .0649 .7067 .0040 |
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Si2 .2910 .3318 .1892 .0038 |
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Al1 .3254 .7042 .4582 .0047 |
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Al2 .2974 .6988 .9505 .0046 |
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Al3 .0997 .3861 .6405 .0045 |
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Al4 .1120 .9174 .1648 .0047 |
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O1 .1094 .1469 .1288 .0054 |
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O2 .1231 .6855 .1815 .0049 |
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O3 .2750 .4546 .9546 .0058 |
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O4 .2832 .9356 .9357 .0056 |
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O5 .1083 .1521 .6666 .0052 |
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O6 .1221 .6306 .6390 .0051 |
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O7 .2823 .4452 .4288 .0058 |
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O8 .2914 .9469 .4659 .0058 |
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O9 .5007 .2751 .2447 .0055 |
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O10 .5012 .2310 .7561 .0053 |
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| |
|
Kyanite |
|
Comodi P, Zanazzi P F, Poli S, Schmidt M W |
|
American Mineralogist 82 (1997) 452-459 |
|
High-pressure behavior of kyanite: Compressibility and structural deformation |
|
Sample: P = 0.1 kbar |
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_database_code_amcsd 0001888 |
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7.117 7.860 5.575 90.02 101.02 106.06 P-1 |
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atom x y z Uiso |
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Si1 .297 .0651 .7070 .0052 |
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Si2 .292 .3321 .1893 .0053 |
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Al1 .323 .7038 .4582 .006 |
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Al2 .298 .6991 .9501 .0061 |
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Al3 .101 .3856 .6409 .0052 |
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Al4 .111 .9170 .1648 .0053 |
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O1 .104 .146 .128 .01 |
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O2 .130 .686 .184 .003 |
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O3 .272 .454 .954 .004 |
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O4 .282 .935 .934 .006 |
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O5 .106 .150 .664 .004 |
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O6 .119 .629 .637 .005 |
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O7 .284 .445 .429 .009 |
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O8 .292 .948 .463 .005 |
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O9 .499 .277 .245 .008 |
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O10 .494 .231 .753 .005 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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Kyanite |
|
Comodi P, Zanazzi P F, Poli S, Schmidt M W |
|
American Mineralogist 82 (1997) 452-459 |
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High-pressure behavior of kyanite: Compressibility and structural deformation |
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Sample: P = 25.4 kbar |
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_database_code_amcsd 0001889 |
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7.079 7.824 5.547 90.13 101.00 105.98 P-1 |
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atom x y z Uiso |
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Si1 .298 .0660 .7073 .0025 |
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Si2 .292 .3316 .1895 .0031 |
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Al1 .326 .7043 .4592 .0037 |
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Al2 .299 .6992 .9506 .0045 |
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Al3 .103 .3866 .6403 .0036 |
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Al4 .112 .9181 .1652 .0037 |
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O1 .108 .148 .132 .006 |
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O2 .129 .687 .184 .003 |
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O3 .272 .455 .956 .004 |
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O4 .283 .936 .936 .004 |
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O5 .110 .151 .665 .008 |
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O6 .118 .631 .638 .004 |
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O7 .285 .446 .429 .004 |
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O8 .292 .947 .465 .006 |
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O9 .499 .275 .245 .004 |
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O10 .498 .232 .754 .004 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
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| |
|
Kyanite |
|
Comodi P, Zanazzi P F, Poli S, Schmidt M W |
|
American Mineralogist 82 (1997) 452-459 |
|
High-pressure behavior of kyanite: Compressibility and structural deformation |
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Sample: P = 37 kbar |
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_database_code_amcsd 0001890 |
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7.065 7.805 5.537 90.12 101.08 105.86 P-1 |
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atom x y z Uiso |
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Si1 .299 .0660 .7080 .0034 |
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Si2 .293 .3319 .1892 .0026 |
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Al1 .328 .7051 .4600 .0055 |
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Al2 .297 .6989 .9495 .0040 |
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Al3 .102 .3867 .6409 .0041 |
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Al4 .113 .9184 .1653 .0053 |
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O1 .109 .148 .130 .011 |
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O2 .128 .685 .181 .003 |
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O3 .276 .454 .951 .005 |
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O4 .283 .933 .935 .008 |
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O5 .113 .152 .666 .002 |
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O6 .115 .629 .638 .012 |
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O7 .284 .444 .429 .012 |
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O8 .292 .946 .465 .004 |
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O9 .504 .275 .245 .010 |
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O10 .499 .232 .753 .001 |
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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
|
| |
|
Kyanite |
|
Comodi P, Zanazzi P F, Poli S, Schmidt M W |
|
American Mineralogist 82 (1997) 452-459 |
|
High-pressure behavior of kyanite: Compressibility and structural deformation |
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Sample: P = 47 kbar |
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_database_code_amcsd 0001891 |
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7.063 7.784 5.524 90.13 101.16 105.85 P-1 |
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atom x y z Uiso |
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Si1 .298 .0655 .7069 .003 |
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Si2 .294 .3325 .1897 .003 |
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Al1 .326 .705 .458 .006 |
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Al2 .295 .6989 .950 .006 |
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Al3 .102 .3879 .641 .000 |
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Al4 .110 .9144 .163 .001 |
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O1 .119 .150 .134 .002 |
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O2 .116 .680 .181 .001 |
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O3 .280 .455 .953 .002 |
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O4 .278 .934 .937 .000 |
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O5 .119 .155 .667 .002 |
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O6 .121 .633 .640 .001 |
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O7 .287 .447 .429 .000 |
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O8 .291 .946 .462 .003 |
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O9 .511 .273 .247 .005 |
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O10 .511 .237 .758 .005 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
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AlSiO3OH |
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Schmidt M W, Finger L W, Angel R J, Dinnebier R E |
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American Mineralogist 83 (1998) 881-888 |
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Synthesis, crystal structure, and phase relations of AlSiO3OH, a high-pressure |
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hydrous phase |
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_database_code_amcsd 0002027 |
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7.14409 4.33462 6.95253 90 98.369 90 P2_1/n |
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atom x y z Biso |
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Al .06463 .02406 .70840 .270 |
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Si .68048 .01714 .58383 .314 |
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H .796 .553 .422 1.7 |
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O1 .1513 .2023 .2600 .35 |
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O2 .5226 .1937 .3943 .26 |
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O3 .88004 .2007 .51236 .19 |
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O4 .76017 .2146 .1288 .31 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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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)
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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, |
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Gorelli F, Lesauze A, Marchand R |
| |
Physics and Chemistry of Minerals 28 (2001) 388-398 |
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Phosphorus oxynitride PON, a silica analogue: structure and compression |
|
of the cristobalite-like phase; P-T phase diagram |
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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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