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Kyanite |
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Comodi P, Zanazzi P F, Poli S, Schmidt M W |
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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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| Download AMC data (View Text File)
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Kyanite |
|
Comodi P, Zanazzi P F, Poli S, Schmidt M W |
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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 = 0.1 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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Kyanite |
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Comodi P, Zanazzi P F, Poli S, Schmidt M W |
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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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Kyanite |
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Comodi P, Zanazzi P F, Poli S, Schmidt M W |
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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 = 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
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Kyanite |
|
Comodi P, Zanazzi P F, Poli S, Schmidt M W |
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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 = 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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Mg8(Mg2Al2)Al8Si12(O,OH)56 |
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Artioli G, Fumagalli P, Poli S |
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American Mineralogist 84 (1999) 1906-1914 |
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The crystal structure of Mg8(Mg2Al2)Al8Si12(O,OH)56 pumpellyite and its |
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relevance in ultramafic systems at high pressure |
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_database_code_amcsd 0002335 |
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8.5758 5.7295 18.5376 90 97.691 90 P2_1/m |
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atom x y z occ Uiso |
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Mg1 .294 .75 .582 .095 |
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Mg2 .225 .75 .410 .095 |
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Mg3 .731 .75 .909 .095 |
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Mg4 .818 .75 .084 .095 |
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MgX1 0 .5 .5 .71 .095 |
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MgX2 0 .5 0 .05 .095 |
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AlX1 .5 .5 .5 .14 .095 |
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AlX2 .5 .5 0 .87 .095 |
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AlY1 .262 .514 .752 .095 |
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AlY2 .749 .501 .746 .095 |
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Si1 .042 .25 .345 .104 |
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Si2 .122 .25 .501 .25 .104 |
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Si2b .360 .25 .495 .75 .104 |
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Si3 .438 .25 .650 .104 |
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Si4 .947 .25 .157 .104 |
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Si5 .849 .25 .999 .104 |
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Si6 .545 .25 .853 .104 |
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O1 .121 .512 .332 .087 |
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O2 .249 .477 .497 .087 |
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O3 .357 .507 .662 .087 |
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O4 .121 .75 .714 .087 |
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O5 .128 .25 .707 .087 |
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O6 .384 .75 .301 .087 |
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O7 .388 .25 .290 .087 |
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O8 .980 .25 .427 .087 |
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O9 .501 .75 .432 .087 |
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O10 .020 .25 .575 .087 |
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O11 .532 .75 .572 .087 |
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O12 .841 .491 .160 .087 |
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O13 .739 .486 .997 .087 |
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O14 .664 .466 .837 .087 |
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O15 .868 .75 .802 .087 |
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O16 .888 .25 .789 .087 |
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O17 .613 .75 .208 .087 |
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O18 .594 .25 .224 .087 |
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O19 .989 .25 .072 .087 |
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O20 .543 .75 .071 .087 |
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O21 .935 .25 .923 .087 |
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O22 .491 .75 .932 .087 |
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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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