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IMA2008-067 |
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Koennecke M, Miehe G, Fuess H |
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Zeitschrift fur Kristallographie 201 (1992) 147-155 |
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Static disorder of dodecasil 3C. A single-crystal study with synchrotron radiation |
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Note: T = 523 K, conventional anisotropic refinement |
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Locality: Synthetic |
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_database_code_amcsd 0011021 |
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19.369 19.369 19.369 90 90 90 *Fd3m |
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.125 .125 .125 |
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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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Si1 .06750 .0675 .37010 .0331 .0331 .0323 .0029 -.0036 -.0036 |
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Si2 .21641 .21641 .21641 .0274 .0274 .0274 -.0009 -.0009 -.0009 |
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Si3 .125 .125 .125 .0250 .0250 .0250 0 0 0 |
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O1 0 .3434 -.3434 .044 .101 .101 -.021 -.021 -.016 |
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O2 .2004 .2004 .2936 .117 .117 .036 -.003 .023 .023 |
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O3 .3763 .125 .125 .074 .059 .059 0 0 -.027 |
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O4 .1702 .1702 .1702 .127 .127 .127 -.052 -.052 -.052 |
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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) |
| |
|
IMA2008-067 |
| |
Koennecke M, Miehe G, Fuess H |
|
Zeitschrift fur Kristallographie 201 (1992) 147-155 |
|
Static disorder of dodecasil 3C. A single-crystal study with synchrotron radiation |
|
Note: T = 523 K, split position refinement |
|
Locality: Synthetic |
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_database_code_amcsd 0011022 |
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19.369 19.369 19.369 90 90 90 *Fd3m |
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.125 .125 .125 |
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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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Si1 .06742 .06742 .37000 .0313 .0313 .0322 .0026 -.0031 -.0031 |
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Si2 .21637 .21637 .21637 .0276 .0276 .0276 -.0004 -.0004 -.0004 |
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Si3 .125 .125 .125 .0241 .0241 .0241 0 0 0 |
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O1 0 .3433 -.3433 .055 .113 .113 -.025 -.025 -.018 |
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O2 .1887 .1887 .2889 .5 .082 .082 .029 -.029 .012 .012 |
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O3 .2074 .2059 .2966 .25 .116 .107 .063 -.039 .000 .033 |
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O4 .125 .125 .3791 .5 .105 .105 .061 -.032 0 0 |
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O5 .125 .125 .3688 .5 .043 .043 .107 -.023 0 0 |
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O6 .1728 .1838 .1549 .167 .095 .054 .032 -.047 -.026 .015 |
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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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