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Paragonite |
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Lin C Y, Bailey S W |
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American Mineralogist 69 (1984) 122-127 |
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The crystal structure of paragonite-2M1 |
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_database_code_amcsd 0000924 |
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5.128 8.898 19.287 90 94.35 90 C2/c |
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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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Al1 .9528 .4288 .1409 .265 0.0050 0.0017 0.00114 -.00030 0.00020 0.00005 |
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Si1 .9528 .4288 .1409 .735 0.0050 0.0017 0.00114 -.00030 0.00020 0.00005 |
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Al2 .4401 .2578 .1409 .265 0.0056 0.0016 0.00116 0.00010 0.00020 0.00002 |
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Si2 .4401 .2578 .1409 .735 0.0056 0.0016 0.00116 0.00010 0.00020 0.00002 |
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Al2 .2499 .0832 -.00002 0.0051 0.0015 0.00112 -.00060 -.00010 0.00012 |
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Na 0 .0941 .25 0.0218 0.0095 0.00210 -.00410 0.00250 0.00130 |
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O1 .9574 .4439 .0554 0.0051 0.0020 0.00140 0.00080 -.00010 0.00001 |
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O2 .3795 .2516 .0554 0.0074 0.0015 0.00130 -.00020 0.00020 0.00008 |
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O3 .3739 .0914 .1743 0.0134 0.0027 0.00150 -.00070 0.00040 0.00020 |
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O4 .7491 .2960 .1628 0.1221 0.0029 0.00150 -.00010 0.00040 0.00050 |
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O5 .2475 .3818 .1748 0.0111 0.0026 0.00160 0.00090 0.00070 0.00000 |
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Oh .9518 .0628 .0512 0.0061 0.0024 0.00130 -.00080 0.00040 -.00050 |
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H .8866 .1458 .0706 |
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| Download AMC data (View Text File)
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Paragonite |
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Comodi P, Zanazzi P F |
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Physics and Chemistry of Minerals 24 (1997) 274-280 |
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Pressure dependence of structural parameters of paragonite |
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Sample: P = .0001 kbar |
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Note: z-coordinate for T1 altered by author, Dec 2003 |
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_database_code_amcsd 0008000 |
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5.135 8.906 19.384 90 94.6 90 C2/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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SiT1 .9555 .4284 .1403 .7525 .0092 .0094 .0149 .0002 .0007 .0001 |
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AlT1 .9555 .4284 .1403 .2475 .0092 .0094 .0149 .0002 .0007 .0001 |
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SiT2 .4423 .2575 .1403 .7525 .0091 .0090 .0145 .0003 .0001 .0002 |
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AlT2 .4423 .2575 .1403 .2475 .0091 .0090 .0145 .0003 .0001 .0002 |
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AlM2 .2501 .0834 .0000 .985 .0076 .0079 .0135 -.0005 .0003 .0002 |
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TiM2 .2501 .0834 .0000 .0035 .0076 .0079 .0135 -.0005 .0003 .0002 |
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FeM2 .2501 .0834 .0000 .005 .0076 .0079 .0135 -.0005 .0003 .0002 |
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MnM2 .2501 .0834 .0000 .001 .0076 .0079 .0135 -.0005 .0003 .0002 |
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MgM2 .2501 .0834 .0000 .003 .0076 .0079 .0135 -.0005 .0003 .0002 |
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Na 0 .0946 .25 .88 .0293 .0365 .0295 0 .0092 0 |
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K 0 .0946 .25 .1 .0293 .0365 .0295 0 .0092 0 |
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Ca 0 .0946 .25 .01 .0293 .0365 .0295 0 .0092 0 |
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Ba 0 .0946 .25 .01 .0293 .0365 .0295 0 .0092 0 |
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O1 .9581 .4439 .0553 .0095 .0107 .0150 .0015 .0002 .0016 |
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O2 .3807 .2517 .0554 .0116 .0077 .0149 .0003 -.0010 .0003 |
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O3 .3785 .0918 .1737 .0190 .0126 .0175 .007 .0016 .0009 |
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O4 .7513 .2968 .1622 .0154 .0173 .0200 -.024 -.0008 .0017 |
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O5 .2505 .3811 .1743 .0148 .0165 .0176 .0023 -.0004 -.0018 |
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OH .9527 .0626 .0512 .0101 .0110 .0178 -.0020 .0017 -.033 |
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H .373 .636 .071 .08 |
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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 (permalink) |
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Paragonite |
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Comodi P, Zanazzi P F |
| |
Physics and Chemistry of Minerals 24 (1997) 274-280 |
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Pressure dependence of structural parameters of paragonite |
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Sample: P = 0.05 GPa |
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_database_code_amcsd 0008001 |
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5.134 8.906 19.32 90 94.5 90 C2/c |
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atom x y z occ Uiso |
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SiT1 .9568 .4288 .1411 .7525 .0063 |
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AlT1 .9568 .4288 .1411 .2475 .0063 |
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SiT2 .4426 .2578 .1399 .7525 .0067 |
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AlT2 .4426 .2578 .1399 .2475 .0067 |
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AlM2 .2494 .0831 .0007 .985 .0048 |
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TiM2 .2494 .0831 .0007 .0035 .0048 |
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FeM2 .2494 .0831 .0007 .005 .0048 |
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MnM2 .2494 .0831 .0007 .001 .0048 |
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MgM2 .2494 .0831 .0007 .003 .0048 |
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Na 0 .094 .25 .88 .032 |
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K 0 .094 .25 .1 .032 |
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Ca 0 .094 .25 .01 .032 |
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Ba 0 .094 .25 .01 .032 |
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O1 .959 .445 .056 .004 |
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O2 .382 .251 .055 .007 |
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O3 .375 .092 .174 .015 |
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O4 .751 .297 .164 .013 |
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O5 .250 .381 .174 .013 |
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OH .954 .064 .051 .009 |
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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 (permalink) |
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|
Paragonite |
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Comodi P, Zanazzi P F |
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Physics and Chemistry of Minerals 24 (1997) 274-280 |
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Pressure dependence of structural parameters of paragonite |
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Sample: P = 2.54 GPa |
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_database_code_amcsd 0008002 |
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5.082 8.813 18.91 90 94.7 90 C2/c |
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atom x y z occ Uiso |
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SiT1 .9613 .4271 .1430 .7525 .004 |
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AlT1 .9613 .4271 .1430 .2475 .004 |
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SiT2 .4490 .2563 .1412 .7525 .007 |
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AlT2 .4490 .2563 .1412 .2475 .007 |
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AlM2 .2476 .0827 .0011 .985 .005 |
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TiM2 .2476 .0827 .0011 .0035 .005 |
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FeM2 .2476 .0827 .0011 .005 .005 |
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MnM2 .2476 .0827 .0011 .001 .005 |
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MgM2 .2476 .0827 .0011 .003 .005 |
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Na 0 .095 .25 .88 .021 |
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K 0 .095 .25 .1 .021 |
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Ca 0 .095 .25 .01 .021 |
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Ba 0 .095 .25 .01 .021 |
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O1 .959 .440 .054 .009 |
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O2 .385 .252 .053 .007 |
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O3 .373 .092 .178 .012 |
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O4 .762 .290 .169 .009 |
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O5 .262 .384 .179 .013 |
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OH .955 .063 .052 .003 |
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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 (permalink) |
| |
|
Paragonite |
|
Comodi P, Zanazzi P F |
| |
Physics and Chemistry of Minerals 24 (1997) 274-280 |
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Pressure dependence of structural parameters of paragonite |
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Sample: P = 4.05 GPa |
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_database_code_amcsd 0008003 |
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5.062 8.769 18.64 90 95.2 90 C2/c |
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atom x y z occ Uiso |
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SiT1 .963 .4269 .142 .7525 .004 |
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AlT1 .963 .4269 .142 .2475 .004 |
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SiT2 .450 .2566 .141 .7525 .007 |
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AlT2 .450 .2566 .141 .2475 .007 |
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AlM2 .251 .0829 -.0004 .985 .003 |
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TiM2 .251 .0829 -.0004 .0035 .003 |
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FeM2 .251 .0829 -.0004 .005 .003 |
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MnM2 .251 .0829 -.0004 .001 .003 |
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MgM2 .251 .0829 -.0004 .003 .003 |
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Na 0 .095 .25 .88 .017 |
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K 0 .095 .25 .1 .017 |
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Ca 0 .095 .25 .01 .017 |
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Ba 0 .095 .25 .01 .017 |
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O1 .960 .439 .051 .000 |
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O2 .389 .251 .054 .007 |
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O3 .372 .090 .175 .007 |
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O4 .765 .287 .170 .009 |
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O5 .264 .385 .179 .014 |
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OH .953 .066 .055 .007 |
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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 (permalink) |
| |
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Paragonite |
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Comodi P, Zanazzi P F |
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Physics and Chemistry of Minerals 27 (2000) 377-385 |
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Structural thermal behavior of paragonite and its dehydroxylate: |
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a high-temperature single-crystal study |
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Sample 2: T = 25 C |
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_database_code_amcsd 0008407 |
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5.140 8.911 19.380 90 94.62 90 C2/c |
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atom x y z occ Uiso |
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Na 0 .0940 .25 .91 .0329 |
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K 0 .0940 .25 .07 .0329 |
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Ca 0 .0940 .25 .01 .0329 |
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Ba 0 .0940 .25 .01 .0329 |
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AlM2 .25008 .08351 .00005 .995 .0103 |
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TiM2 .25008 .08351 .00005 .0025 .0103 |
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FeM2 .25008 .08351 .00005 .005 .0103 |
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MnM2 .25008 .08351 .00005 .0005 .0103 |
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MgM2 .25008 .08351 .00005 .01 .0103 |
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AlT1 .9549 .42825 .14063 .27 .0121 |
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SiT1 .9549 .42825 .14063 .73 .0121 |
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AlT2 .4417 .25732 .14063 .27 .0118 |
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SiT2 .4417 .25732 .14063 .73 .0118 |
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O1 .9574 .4437 .05545 .0124 |
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O2 .3809 .2511 .05551 .0122 |
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O3 .3766 .0916 .17401 .0167 |
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O4 .7511 .2963 .16264 .0180 |
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O5 .2502 .3816 .17464 .0170 |
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Oh .9518 .0626 .05146 .0135 |
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H .886 .135 .063 .06 |
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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 (permalink) |
| |
|
Paragonite |
|
Comodi P, Zanazzi P F |
| |
Physics and Chemistry of Minerals 27 (2000) 377-385 |
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Structural thermal behavior of paragonite and its dehydroxylate: |
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a high-temperature single-crystal study |
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Sample 2: T = 210 C |
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_database_code_amcsd 0008408 |
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5.152 8.941 19.459 90 94.26 90 C2/c |
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atom x y z occ Uiso |
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Na 0 .0954 .25 .91 .056 |
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K 0 .0954 .25 .07 .056 |
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Ca 0 .0954 .25 .01 .056 |
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Ba 0 .0954 .25 .01 .056 |
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AlM2 .2500 .0834 .00007 .995 .0156 |
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TiM2 .2500 .0834 .00007 .0025 .0156 |
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FeM2 .2500 .0834 .00007 .005 .0156 |
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MnM2 .2500 .0834 .00007 .0005 .0156 |
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MgM2 .2500 .0834 .00007 .01 .0156 |
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AlT1 .9514 .4285 .14010 .27 .0175 |
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SiT1 .9514 .4285 .14010 .73 .0175 |
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AlT2 .4384 .2574 .14010 .27 .0175 |
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SiT2 .4384 .2574 .14010 .73 .0175 |
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O1 .9570 .4440 .0552 .0172 |
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O2 .3787 .2513 .0554 .0183 |
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O3 .3766 .0914 .1732 .0231 |
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O4 .7447 .2992 .1621 .0261 |
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O5 .2444 .3794 .1737 .0232 |
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Oh .9503 .0626 .0510 .0206 |
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H .861 .134 .062 .07 |
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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 (permalink) |
| |
|
Paragonite |
|
Comodi P, Zanazzi P F |
| |
Physics and Chemistry of Minerals 27 (2000) 377-385 |
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Structural thermal behavior of paragonite and its dehydroxylate: |
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a high-temperature single-crystal study |
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Sample 2: T = 450 C |
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_database_code_amcsd 0008409 |
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5.173 8.985 19.553 90 93.58 90 C2/c |
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atom x y z occ Uiso |
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Na 0 .0957 .25 .91 .086 |
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K 0 .0957 .25 .07 .086 |
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Ca 0 .0957 .25 .01 .086 |
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Ba 0 .0957 .25 .01 .086 |
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AlM2 .2502 .0836 -.00002 .995 .0221 |
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TiM2 .2502 .0836 -.00002 .0025 .0221 |
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FeM2 .2502 .0836 -.00002 .005 .0221 |
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MnM2 .2502 .0836 -.00002 .0005 .0221 |
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MgM2 .2502 .0836 -.00002 .01 .0221 |
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AlT1 .9457 .4287 .13942 .27 .0239 |
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SiT1 .9457 .4287 .13942 .73 .0239 |
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AlT2 .4321 .2576 .13929 .27 .0239 |
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SiT2 .4321 .2576 .13929 .73 .0239 |
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O1 .9548 .4440 .0550 .0246 |
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O2 .3763 .2515 .0553 .0250 |
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O3 .3748 .0919 .1726 .032 |
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O4 .7343 .3026 .1609 .035 |
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O5 .2336 .3764 .1731 .031 |
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Oh .9488 .0623 .0508 .029 |
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H .879 .124 .060 .08 |
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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 (permalink) |
| |
|
Paragonite |
|
Comodi P, Zanazzi P F |
| |
Physics and Chemistry of Minerals 27 (2000) 377-385 |
|
Structural thermal behavior of paragonite and its dehydroxylate: |
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a high-temperature single-crystal study |
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Sample 2: T = 600 C |
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_database_code_amcsd 0008410 |
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5.190 9.011 19.603 90 92.96 90 C2/c |
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atom x y z occ Uiso |
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Na 0 .0961 .25 .91 .114 |
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K 0 .0961 .25 .07 .114 |
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Ca 0 .0961 .25 .01 .114 |
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Ba 0 .0961 .25 .01 .114 |
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AlM2 .2533 .0844 .0000 .995 .029 |
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TiM2 .2533 .0844 .0000 .0025 .029 |
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FeM2 .2533 .0844 .0000 .005 .029 |
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MnM2 .2533 .0844 .0000 .0005 .029 |
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MgM2 .2533 .0844 .0000 .01 .029 |
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AlT1 .9403 .4290 .1392 .27 .030 |
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SiT1 .9403 .4290 .1392 .73 .030 |
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AlT2 .4264 .2576 .1391 .27 .031 |
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SiT2 .4264 .2576 .1391 .73 .031 |
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O1 .9560 .4453 .0548 .031 |
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O2 .3725 .2508 .0554 .033 |
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O3 .3737 .0920 .1720 .042 |
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O4 .7251 .3065 .1602 .043 |
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O5 .2230 .3728 .1726 .039 |
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OH .9441 .0632 .0514 .044 |
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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 (permalink) |
| |
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