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Ferrosilite |
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Burnham C W, Ohashi Y, Hafner S S, Virgo D |
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American Mineralogist 56 (1971) 850-876 |
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Cation distribution and atomic thermal vibrations in an iron-rich orthopyroxene |
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_database_code_amcsd 0000247 |
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18.405 9.0338 5.2390 90 90 90 Pbca |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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SiA .27194 .33944 .04905 .00022 .00158 .00366 -.00008 .00007 -.00012 |
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SiB .47343 .33490 .79113 .00026 .00159 .00364 .00008 0 .00014 |
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Fe1 .37566 .65424 .87451 .75 .00043 .00192 .00506 -.00001 -.00010 -.00012 |
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Mg1 .37566 .65424 .87451 .25 .00043 .00192 .00506 -.00001 -.00010 -.00012 |
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Fe2 .37795 .48456 .36682 .96 .00060 .00288 .00646 -.00012 -.00046 .00013 |
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Ca2 .37795 .48456 .36682 .04 .00060 .00288 .00646 -.00012 -.00046 .00013 |
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O1a .18427 .33889 .03899 .00022 .00194 .00567 0 .00010 -.00025 |
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O2a .31130 .49661 .05755 .00047 .00157 .00513 -.00016 -.00010 -.00015 |
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O3a .30229 .23575 -.18414 .00032 .00301 .00455 -.00004 .00004 -.00106 |
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O1b .56154 .33620 .78991 .00024 .00227 .00662 0 -.00001 .00023 |
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O2b .43335 .48202 .69459 .00053 .00203 .00612 .00025 .00041 .00051 |
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O3b .44735 .20274 .58737 .00037 .00259 .00569 -.00014 .00017 -.00113 |
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Hedenbergite |
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Zhang L, Ahsbahs H, Hafner S S, Kutoglu A |
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American Mineralogist 82 (1997) 245-258 |
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Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa |
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Sample: at P = 0.0 GPa |
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Note: cell parameters obtained by linear regression |
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_database_code_amcsd 0001861 |
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9.8389 9.0214 5.2424 90 104.797 90 C2/c |
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atom x y z Biso |
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Ca 0 .29953 .25 .68 |
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Fe 0 .90720 .25 .44 |
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Si .28784 .092495 .23270 .44 |
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O1 .11965 .08995 .15206 .56 |
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O2 .36290 .24596 .32346 .81 |
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O3 .35021 .01994 .99292 .66 |
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Hedenbergite |
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Zhang L, Ahsbahs H, Hafner S S, Kutoglu A |
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American Mineralogist 82 (1997) 245-258 |
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Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa |
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Sample: at P = 1.1 GPa |
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Note: cell parameters obtained by linear regression |
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_database_code_amcsd 0001862 |
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9.810 8.985 5.224 90 104.58 90 C2/c |
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atom x y z Biso |
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Ca 0 .30040 .25 .68 |
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Fe 0 .90764 .25 .47 |
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Si .28782 .09305 .23216 .43 |
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O1 .11951 .09068 .15267 .57 |
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O2 .36247 .24747 .32409 .88 |
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O3 .35052 .02100 .99087 .70 |
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Hedenbergite |
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Zhang L, Ahsbahs H, Hafner S S, Kutoglu A |
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American Mineralogist 82 (1997) 245-258 |
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Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa |
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Sample: at P = 2.1 GPa |
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Note: cell parameters obtained by linear regression |
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_database_code_amcsd 0001863 |
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9.787 8.952 5.209 90 104.43 90 C2/c |
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atom x y z Biso |
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Ca 0 .30118 .25 .66 |
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Fe 0 .90829 .25 .44 |
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Si .28800 .09319 .23190 .43 |
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O1 .12013 .09058 .15349 .58 |
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O2 .36220 .24791 .32470 .88 |
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O3 .35093 .02114 .98950 .63 |
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Hedenbergite |
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Zhang L, Ahsbahs H, Hafner S S, Kutoglu A |
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American Mineralogist 82 (1997) 245-258 |
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Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa |
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Sample: at P = 2.8 GPa |
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Note: cell parameters obtained by linear regression |
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_database_code_amcsd 0001864 |
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9.772 8.931 5.200 90 104.34 90 C2/c |
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atom x y z Biso |
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Ca 0 .30114 .25 .55 |
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Fe 0 .90831 .25 .45 |
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Si .28797 .09255 .23180 .43 |
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O1 .12006 .09073 .15283 .65 |
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O2 .36200 .24830 .32479 .84 |
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O3 .35139 .02186 .98851 .55 |
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Hedenbergite |
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Zhang L, Ahsbahs H, Hafner S S, Kutoglu A |
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American Mineralogist 82 (1997) 245-258 |
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Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa |
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Sample: at P = 3.6 GPa |
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Note: cell parameters obtained by linear regression |
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_database_code_amcsd 0001865 |
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9.756 8.906 5.189 90 104.25 90 C2/c |
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atom x y z Biso |
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Ca 0 .30210 .25 .56 |
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Fe 0 .90860 .25 .45 |
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Si .28768 .09394 .23127 .41 |
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O1 .11987 .09107 .15330 .69 |
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O2 .36200 .24843 .32509 .91 |
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O3 .35217 .02278 .98826 .60 |
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Hedenbergite |
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Zhang L, Ahsbahs H, Hafner S S, Kutoglu A |
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American Mineralogist 82 (1997) 245-258 |
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Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa |
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Sample: at P = 4.2 GPa |
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Note: cell parameters obtained by linear regression |
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_database_code_amcsd 0001866 |
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9.744 8.889 5.181 90 104.18 90 C2/c |
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atom x y z Biso |
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Ca 0 .30236 .25 .55 |
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Fe 0 .90902 .25 .40 |
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Si .28770 .09362 .23116 .42 |
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O1 .12010 .09112 .15252 .65 |
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O2 .36106 .24851 .32682 .70 |
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O3 .35240 .02332 .98737 .68 |
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| Download AMC data (View Text File)
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Hedenbergite |
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Zhang L, Ahsbahs H, Hafner S S, Kutoglu A |
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American Mineralogist 82 (1997) 245-258 |
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Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa |
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Sample: at P = 4.6 GPa |
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Note: cell parameters obtained by linear regression |
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_database_code_amcsd 0001867 |
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9.737 8.877 5.176 90 104.14 90 C2/c |
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atom x y z Biso |
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Ca 0 .30279 .25 .53 |
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Fe 0 .90918 .25 .38 |
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Si .28780 .09364 .23083 .42 |
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O1 .12064 .09106 .15289 .59 |
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O2 .36107 .24928 .32680 .72 |
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O3 .35193 .02338 .98716 .65 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Hedenbergite |
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Zhang L, Ahsbahs H, Hafner S S, Kutoglu A |
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American Mineralogist 82 (1997) 245-258 |
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Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa |
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Sample: at P = 5.3 GPa |
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Note: cell parameters obtained by linear regression |
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_database_code_amcsd 0001868 |
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9.724 8.856 5.168 90 104.14 90 C2/c |
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atom x y z Biso |
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Ca 0 .30307 .25 .50 |
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Fe 0 .90937 .25 .39 |
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Si .28772 .09392 .23071 .37 |
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O1 .12070 .09143 .15140 .64 |
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O2 .36140 .25005 .32681 .71 |
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O3 .35300 .02373 .98570 .59 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Hedenbergite |
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Zhang L, Ahsbahs H, Hafner S S, Kutoglu A |
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American Mineralogist 82 (1997) 245-258 |
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Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa |
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Sample: at P = 6.3 GPa |
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Note: cell parameters obtained by linear regression |
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_database_code_amcsd 0001869 |
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9.707 8.827 5.156 90 103.99 90 C2/c |
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atom x y z Biso |
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Ca 0 .30336 .25 .55 |
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Fe 0 .90972 .25 .41 |
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Si .28756 .094256 .23086 .44 |
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O1 .11943 .09205 .15201 .58 |
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O2 .36140 .25068 .32834 .82 |
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O3 .35246 .02412 .98553 .67 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Hedenbergite |
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Zhang L, Ahsbahs H, Hafner S S, Kutoglu A |
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American Mineralogist 82 (1997) 245-258 |
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Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa |
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Sample: at P = 7.6 GPa |
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Note: cell parameters obtained by linear regression |
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_database_code_amcsd 0001870 |
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9.686 8.789 5.141 90 103.89 90 C2/c |
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atom x y z Biso |
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Ca 0 .30423 .25 .50 |
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Fe 0 .90987 .25 .39 |
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Si .28779 .09454 .23074 .38 |
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O1 .11919 .09226 .15276 .63 |
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O2 .36074 .25155 .32893 .78 |
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O3 .35303 .02516 .98511 .63 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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| |
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Hedenbergite |
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Zhang L, Ahsbahs H, Hafner S S, Kutoglu A |
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American Mineralogist 82 (1997) 245-258 |
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Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa |
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Sample: at P = 8.7 GPa |
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Note: cell parameters obtained by linear regression |
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_database_code_amcsd 0001871 |
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9.668 8.756 5.128 90 103.82 90 C2/c |
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atom x y z Biso |
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Ca 0 .30447 .25 .52 |
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Fe 0 .91001 .25 .41 |
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Si .28793 .09474 .23087 .39 |
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O1 .12003 .09248 .15227 .62 |
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O2 .35991 .25203 .32914 .77 |
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O3 .35338 .02592 .98464 .63 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Hedenbergite |
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Zhang L, Ahsbahs H, Hafner S S, Kutoglu A |
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American Mineralogist 82 (1997) 245-258 |
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Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa |
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Sample: at P = 9.9 GPa |
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Note: cell parameters obtained by linear regression |
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_database_code_amcsd 0001872 |
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9.647 8.718 5.114 90 103.74 90 C2/c |
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atom x y z Biso |
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Ca 0 .30506 .25 .53 |
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Fe 0 .91031 .25 .42 |
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Si .28757 .09506 .23088 .39 |
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O1 .11954 .09289 .15248 .61 |
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O2 .35991 .25226 .33002 .74 |
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O3 .35335 .02593 .98444 .62 |
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| Download AMC data (View Text File)
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Cuprite |
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Hafner S S, Nagel S |
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Physics and Chemistry of Minerals 9 (1983) 19-22 |
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The electric field gradient at the position of copper in |
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Cu2O and electronic charge density analysis by means of K-factors |
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_database_code_amcsd 0007351 |
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4.2696 4.2696 4.2696 90 90 90 Pn3 |
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atom x y z |
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Cu .25 .25 .25 |
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O 0 0 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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