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Na1.8Ca1.1Si6O14 |
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Gasparik T, Parise J B, Eiben B A, Hriljac J A |
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American Mineralogist 80 (1995) 1269-1276 |
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Stability and structure of a new high-pressure silicate, Na1.8Ca1.1Si6O14 |
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Sample: data collected on a diffractometer |
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Note: U(2,3) for Si2, Na/Ca altered to match symmetry constraints. |
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_database_code_amcsd 0001761 |
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7.903 7.903 4.595 90 90 120 P321 |
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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 2/3 1/3 .4899 .0055 .0055 .0056 .00275 0 0 |
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Si2 .74751 .74751 .5 .0050 .0050 .0040 .0025 -.0003 .0003 |
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Si3 0 0 0 .0054 .0054 .0033 .0027 0 0 |
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Na .41485 .41485 0 .6 .0107 .0107 .0093 .0040 .0005 -.0005 |
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Ca .41485 .41485 0 .37 .0107 .0107 .0093 .0040 .0005 -.0005 |
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O1 .7021 .5394 .3505 .0178 .0067 .0081 .0065 -.0027 -.0011 |
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O2 2/3 1/3 .8288 .0206 .0206 .0059 .0103 0 0 |
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O3 .8963 .7899 .7684 .0073 .0069 .0053 .0039 -.0021 -.0011 |
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| Download AMC data (View Text File)
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Na1.8Ca1.1Si6O14 |
| |
Gasparik T, Parise J B, Eiben B A, Hriljac J A |
|
American Mineralogist 80 (1995) 1269-1276 |
|
Stability and structure of a new high-pressure silicate, Na1.8Ca1.1Si6O14 |
|
Sample: data collected on an image plate |
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Note: U(2,3) for Si2, Na/Ca altered to match symmetry constraints. |
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_database_code_amcsd 0001762 |
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7.903 7.903 4.595 90 90 120 P321 |
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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 2/3 1/3 .4901 .0039 .0039 .0048 .00195 0 0 |
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Si2 .74762 .74762 .5 .0031 .0031 .0032 .0013 -.0002 .0002 |
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Si3 0 0 0 .0034 .0034 .0027 .0017 0 0 |
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Na .41495 .41495 0 .6 .0083 .0083 .0088 .0028 .0005 -.0005 |
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Ca .41495 .41495 0 .37 .0083 .0083 .0088 .0028 .0005 -.0005 |
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O1 .7018 .5393 .3504 .0164 .0049 .0077 .0054 -.0034 -.0007 |
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O2 2/3 1/3 .8295 .0194 .0194 .0053 .0097 0 0 |
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O3 .8961 .7899 .7679 .0053 .0049 .0047 .0023 -.0017 -.0011 |
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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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