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Topaz |
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Chen J, Lager G A, Kunz M, Hansen T C, Ulmer P |
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Acta Crystallographica E61 (2005) i253-i255 |
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A Rietveld refinement using neutron powder diffraction data of a |
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fully deuterated topaz, Al2SiO4(OD)2 |
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Locality: synthetic |
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_database_code_amcsd 0010464 |
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4.72820 8.9320 8.4309 90 90 90 Pbnm |
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atom x y z occ Uiso |
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Al .9071 .1325 .0779 .0030 |
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Si .4032 .9404 .25 .0002 |
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O1 .7080 .0260 .25 .0015 |
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O2 .4431 .7551 .25 .0017 |
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O3 .2129 .9922 .0946 .0031 |
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O4 .5917 .2504 .0661 .0048 |
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D1 .4400 .1858 .1031 .5 .0450 |
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D2 .5320 .2811 .1675 .5 .0480 |
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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 |
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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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| |
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