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Nontronite |
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Manceau A, Chateigner D, Gates W P |
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Physics and Chemistry of Minerals 25 (1998) 347-365 |
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Polarized EXAFS, distance-valence least-squares modelling (DVLS), |
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and quantitative texture analysis approaches to the structural |
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refinement of Garfield nontronite |
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_database_code_amcsd 0008146 |
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5.277 9.14 9.78 90 101.0 90 C2/m |
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atom x y z occ |
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Na .5 0 .5 .5 |
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Fe 0 .667 0 |
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Si .431 .328 .288 .866 |
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Al .431 .328 .288 .134 |
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O1 .364 .313 .115 |
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O2 .489 .5 .330 |
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O3 .186 .731 .353 |
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OH4 .396 0 .115 |
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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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Ti50.75Ni47.75Fe1.50 |
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Sitepu H, Wright J P, Hansen T, Chateigner D, Brokmeier H G, Ritter C, Ohba T |
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Materials Science Forum 495 (2005) 255-260 |
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Combined synchrotron and neutron structural refinement of R-phase in |
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Ti50.75Ni47.75Fe1.50 shape memory alloy |
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_database_code_amcsd 0014390 |
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4.2579 4.2579 5.2149 90 90 120 P-3 |
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atom x y z occ Uiso |
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Ti1 0 0 0 .880 .00768 |
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Ni2 0 0 .5 .00519 |
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Ti3 -.00805 .3259 .65701 .880 .00768 |
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Ni4 -.01929 .3245 .14673 .00519 |
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Ti5 1/3 2/3 .03045 .880 .00768 |
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Ni6 1/3 2/3 .56383 .00519 |
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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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Ti50.75Ni47.75Fe1.50 |
| |
Sitepu H, Wright J P, Hansen T, Chateigner D, Brokmeier H G, Ritter C, Ohba T |
| |
Materials Science Forum 495 (2005) 255-260 |
|
Combined synchrotron and neutron structural refinement of R-phase in |
|
Ti50.75Ni47.75Fe1.50 shape memory alloy |
|
_database_code_amcsd 0014391 |
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4.2579 4.2579 5.2149 90 90 120 P3 |
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atom x y z occ Uiso |
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Ti1 0 0 0 .875 .00714 |
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Ni2 0 0 .5249 .00587 |
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Ti3 -.0129 .3248 .6463 .875 .00714 |
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Ni4 -.0116 .3364 .1306 .00587 |
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Ti5 1/3 2/3 .0150 .875 .00714 |
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Ni6 1/3 2/3 .5301 .00587 |
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Ti7 .0063 .6748 .3314 .875 .00714 |
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Ni8 .0204 .6834 .8336 .00587 |
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Ti9 2/3 1/3 -.0447 .875 .00714 |
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Ni10 2/3 1/3 .4172 .00587 |
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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
|
| |
|
Ti50.75Ni47.75Fe1.50 |
| |
Sitepu H, Wright J P, Hansen T, Chateigner D, Brokmeier H G, Ritter C, Ohba T |
| |
Materials Science Forum 495 (2005) 255-260 |
|
Combined synchrotron and neutron structural refinement of R-phase in |
|
Ti50.75Ni47.75Fe1.50 shape memory alloy |
|
_database_code_amcsd 0014392 |
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4.2579 4.2579 5.2149 90 90 120 P31m |
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atom x y z occ Uiso |
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Ti1 0 0 0 .876 .02385 |
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Ni2 0 0 .4714 .00941 |
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Ti3 0 .3233 .6970 .876 .00709 |
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Ni4 0 .32134 .1825 .00374 |
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Ti5 1/3 2/3 .0579 .876 .00420 |
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Ni6 1/3 2/3 .5810 .00737 |
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Ti7 0 .6621 .3788 .876 .00764 |
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Ni8 0 .64515 .8852 .00494 |
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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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