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Clinochlore |
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Guggenheim S, Zhan W |
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American Mineralogist 84 (1999) 1415-1421 |
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Crystal structures of two partially dehydrated chlorites: The "modified" |
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chlorite structure |
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Sample: chromian clinochlore-IIb-4 |
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Note: The sites labeled I are of undetermined occupancies. |
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_database_code_amcsd 0002313 |
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5.368 9.297 14.215 89.86 97.15 89.98 C-1 |
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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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Mg1 0 0 0 .99 .004 .008 .084 -.0029 .010 .001 |
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Al1 0 0 0 .01 .004 .008 .084 -.0029 .010 .001 |
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Mg2 .0005 .3336 -.0002 .99 .0059 .0097 .086 -.0023 .010 -.0003 |
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Al2 .0005 .3336 -.0002 .01 .0059 .0097 .086 -.0023 .010 -.0003 |
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Si1 .2297 .1662 .1933 .76 .0119 .0161 .081 -.0024 .009 .001 |
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Al1 .2297 .1662 .1933 .24 .0119 .0161 .081 -.0024 .009 .001 |
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Si2 .2311 .4989 .1934 .76 .0119 .0175 .077 -.0016 .010 .001 |
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Al2 .2311 .4989 .1934 .24 .0119 .0175 .077 -.0016 .010 .001 |
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O1 .1920 .1662 .0767 .009 .013 .684 -.003 .010 .000 |
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O2 .6924 -.0005 .0775 .011 .014 .088 -.002 .008 -.002 |
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O3 .208 .3321 .2348 .044 .027 .118 -.003 .002 .003 |
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O4 .513 .1010 .2344 .025 .048 .112 .008 .020 .012 |
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O5 .013 .0652 .2338 .023 .048 .097 -.022 .020 -.009 |
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OH6 .6919 .3326 .0754 .012 .015 .099 -.002 .011 -.000 |
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I1 .186 .333 .575 .072 .085 .105 .001 .017 .004 |
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I2 .194 -.005 .574 .075 .067 .098 .003 .013 .000 |
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I3 .198 .666 .597 .072 .076 .135 -.007 .022 -.006 |
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I4 .129 .6660 .3874 .025 .030 .132 -.004 .015 -.002 |
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I5 .138 .3338 .410 .022 .029 .193 .002 .014 .004 |
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I6 .138 .0018 . 411 .026 .026 .207 -.002 .035 -.011 |
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Clinochlore |
|
Guggenheim S, Zhan W |
|
American Mineralogist 84 (1999) 1415-1421 |
|
Crystal structures of two partially dehydrated chlorites: The "modified" |
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chlorite structure |
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Sample: chromian clinochlore-IIb-2 |
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Note: The sites labeled I are of undetermined occupancies. |
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_database_code_amcsd 0002314 |
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5.372 9.291 14.270 90 97.34 90 C2/m |
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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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Mg1 0 0 0 .99 .013 .007 .096 0 .003 0 |
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Al1 0 0 0 .01 .013 .007 .096 0 .003 0 |
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Mg2 0 .3331 0 .99 .015 .0080 .098 0 .002 0 |
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Al2 0 .3331 0 .01 .015 .0080 .098 0 .002 0 |
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Si .2323 .1673 .1934 .76 .0238 .0163 .093 .0005 .0022 .0006 |
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Al .2323 .1673 .1934 .24 .0238 .0163 .093 .0005 .0022 .0006 |
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O1 .1937 .1668 .0768 .020 .015 .105 .000 .002 .001 |
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O2 .208 0 .2357 .058 .022 .116 0 -.011 0 |
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O3 .5145 .2303 .2351 .043 .047 .140 -.012 .010 -.008 |
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OH4 .1909 .5 .0752 .020 .014 .127 0 .004 0 |
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I1 .129 0 .388 .042 .044 .151 0 .007 0 |
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I2 .195 .664 .5747 .089 .084 .110 -.004 -.013 .007 |
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I3 .133 .3321 .4096 .041 .038 .215 .003 .025 .013 |
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I4 .198 0 .596 .103 .088 .106 0 -.004 0 |
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Lizardite-1T |
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Guggenheim S, Zhan W |
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The Canadian Mineralogist 36 (1998) 1587-1594 |
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Effect of temperature on the structures of lizardite-1T and lizardite-2H1 |
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Sample: T = 20 C |
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_database_code_amcsd 0005583 |
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5.326 5.326 7.288 90 90 120 P31m |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mg .3318 0 .455 .003 .003 .022 .0015 -.002 0 |
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Si 1/3 2/3 .074 .0065 .0065 .026 .00325 0 0 |
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H1 .583 0 .732 |
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H2 0 0 .197 |
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O1 1/3 2/3 .2911 .003 .003 .036 .0015 0 0 |
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O2 .507 0 -.008 .014 .007 .021 .0035 -.002 0 |
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O3 .664 0 .588 .009 .008 .022 .004 -.002 0 |
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O4 0 0 .304 .008 .008 .013 .004 0 0 |
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Lizardite-1T |
| |
Guggenheim S, Zhan W |
|
The Canadian Mineralogist 36 (1998) 1587-1594 |
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Effect of temperature on the structures of lizardite-1T and lizardite-2H1 |
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Sample: T = 360 C |
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_database_code_amcsd 0005584 |
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5.333 5.333 7.324 90 90 120 P31m |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mg .3327 0 .456 .008 .007 .029 .0035 -.001 0 |
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Si 1/3 2/3 .077 .0089 .0089 .034 .00445 0 0 |
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O1 1/3 2/3 .2918 .010 .010 .029 .0050 0 0 |
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O2 .501 0 -.007 .019 .009 .033 .0045 -.001 0 |
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O3 .662 0 .592 .018 .015 .024 .0075 -.000 0 |
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O4 0 0 .303 .020 .020 .026 .010 0 0 |
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|
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Lizardite-1T |
| |
Guggenheim S, Zhan W |
|
The Canadian Mineralogist 36 (1998) 1587-1594 |
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Effect of temperature on the structures of lizardite-1T and lizardite-2H1 |
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Sample: T = 480 C |
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_database_code_amcsd 0005585 |
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5.332 5.332 7.332 90 90 120 P31m |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mg .3321 0 .457 .011 .011 .034 .0055 -.0001 0 |
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Si 1/3 2/3 .078 .0126 .0126 .036 .0063 0 0 |
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H1 .572 0 .730 |
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H2 0 0 .190 |
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O1 1/3 2/3 .2914 .015 .015 .030 .0075 0 0 |
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O2 .500 0 -.005 .023 .013 .037 .0065 -.003 0 |
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O3 .664 0 .592 .022 .020 .025 .010 .001 0 |
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O4 0 0 .306 .022 .022 .028 .011 0 0 |
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Lizardite-2H1 |
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Guggenheim S, Zhan W |
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The Canadian Mineralogist 36 (1998) 1587-1594 |
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Effect of temperature on the structures of lizardite-1T and lizardite-2H1 |
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Sample: T = 20 C |
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_database_code_amcsd 0005586 |
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5.317 5.317 14.551 90 90 120 P6_3cm |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mg .3327 0 .2225 .011 .009 .019 .0045 -.001 0 |
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Si 1/3 2/3 .0314 .0087 .0087 .011 .00435 0 0 |
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H1 .622 0 .354 |
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H2 0 0 .075 |
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O1 1/3 2/3 .1406 .010 .010 .024 .0050 0 0 |
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O2 .491 0 -.0070 .020 .020 .028 .010 -.013 0 |
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O3 2/3 0 .2896 .019 .024 .008 .012 -.003 0 |
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O4 0 0 .1470 .016 .016 .013 .008 0 0 |
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Lizardite-2H1 |
| |
Guggenheim S, Zhan W |
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The Canadian Mineralogist 36 (1998) 1587-1594 |
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Effect of temperature on the structures of lizardite-1T and lizardite-2H1 |
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Sample: T = 300 C |
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_database_code_amcsd 0005587 |
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5.336 5.336 14.614 90 90 120 P6_3cm |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mg .332 0 .2188 .018 .015 .018 .0075 -.000 0 |
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Si 1/3 2/3 .0292 .013 .013 .012 .0065 0 0 |
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O1 1/3 2/3 .1406 .023 .023 .015 .0115 0 0 |
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O2 .494 0 -.009 .038 .029 .030 .0145 -.014 0 |
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O3 2/3 0 .2859 .024 .025 .031 .0125 -.002 0 |
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O4 0 0 .144 .020 .020 .026 .010 0 0 |
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|
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Lizardite-2H1 |
| |
Guggenheim S, Zhan W |
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The Canadian Mineralogist 36 (1998) 1587-1594 |
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Effect of temperature on the structures of lizardite-1T and lizardite-2H1 |
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Sample: T = 475 C |
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_database_code_amcsd 0005588 |
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5.345 5.345 14.662 90 90 120 P6_3cm |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mg .3319 0 .2243 .018 .017 .028 .0085 -.001 0 |
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Si 1/3 2/3 .0344 .015 .015 .017 .0075 0 0 |
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H1 .621 0 .343 |
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H2 0 0 .068 |
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O1 1/3 2/3 .1437 .021 .021 .020 .0105 0 0 |
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O2 .493 0 -.0023 .036 .027 .031 .0135 -.012 0 |
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O3 .668 0 .2909 .031 .031 .021 .0155 .003 0 |
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O4 0 0 .149 .025 .025 .025 .0125 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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