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NiTi |
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Sitepu H, Schmahl W W, Stalick J K |
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Applied Physics A74 (2002) S1719-S1721 |
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Correction of intensities for preferred orientation in neutron-diffraction |
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data of NiTi shape-memory alloy using the generalized spherical-harmonic description |
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_database_code_amcsd 0012031 |
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2.8837 4.6674 4.1062 90 90 97.938 P2_1/m |
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atom x y z Uiso |
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Ti .5887 .2816 .25 .00268 |
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Ni .0387 .1748 .75 .00064 |
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| Download AMC data (View Text File)
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Calcite |
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Sitepu H, O'Connor B H, Li D |
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Journal of Applied Crystallography 38 (2005) 158-167 |
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Comparative evaluation of the March and generalized spherical harmonic |
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preferred orientation models using X-ray diffraction data for molybdite |
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and calcite powders |
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Note: March model |
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Locality: synthetic |
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_database_code_amcsd 0012867 |
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4.991 4.991 17.068 90 90 120 R-3c |
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atom x y z Uiso |
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Ca 0 0 0 .01550 |
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C 0 0 .25 .01771 |
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O .245 0 .25 .01771 |
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| Download AMC data (View Text File)
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| |
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Calcite |
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Sitepu H, O'Connor B H, Li D |
| |
Journal of Applied Crystallography 38 (2005) 158-167 |
|
Comparative evaluation of the March and generalized spherical harmonic |
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preferred orientation models using X-ray diffraction data for molybdite |
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and calcite powders |
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Note: GSH model |
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Locality: synthetic |
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_database_code_amcsd 0012868 |
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4.9920 4.9920 17.069 90 90 120 R-3c |
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atom x y z Uiso |
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Ca 0 0 0 .01525 |
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C 0 0 .25 .02084 |
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O .250 0 .25 .02084 |
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| Download AMC data (View Text File)
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|
| |
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Molybdite |
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Sitepu H, O'Connor B H, Li D |
| |
Journal of Applied Crystallography 38 (2005) 158-167 |
|
Comparative evaluation of the March and generalized spherical harmonic |
|
preferred orientation models using X-ray diffraction data for molybdite |
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and calcite powders |
|
Note: GSH model |
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Locality: synthetic |
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_database_code_amcsd 0012869 |
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3.9616 13.856 3.6978 90 90 90 Pbnm |
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atom x y z Uiso |
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Mo .073 .1010 .25 .0279 |
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O1 .544 .426 .25 .02513 |
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O2 .615 .0910 .25 .02613 |
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O3 .053 .223 .25 .01121 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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Molybdite |
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Sitepu H, O'Connor B H, Li D |
| |
Journal of Applied Crystallography 38 (2005) 158-167 |
|
Comparative evaluation of the March and generalized spherical harmonic |
|
preferred orientation models using X-ray diffraction data for molybdite |
|
and calcite powders |
|
Note: March model |
|
Locality: synthetic |
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_database_code_amcsd 0012870 |
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3.9621 13.855 3.6986 90 90 90 Pbnm |
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atom x y z Uiso |
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Mo .075 .1020 .25 .01563 |
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O1 .526 .426 .25 .01012 |
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O2 .5660 .086 .25 .01112 |
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O3 .010 .224 .25 .01495 |
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| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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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 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 |
|
|
| Download AMC data (View Text File)
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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 |
|
Ni8 0 .64515 .8852 .00494 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ti50.75Ni47.75Fe1.50 |
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Sitepu H |
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Powder Diffraction 22 (2007) 209-218 |
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Structural refinement of neutron powder diffraction data of two-stage |
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martensitic phase transformations in Ti50.75Ni47.75Fe1.50 shape memory alloy |
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Locality: synthetic |
|
_database_code_amcsd 0018294 |
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3.0191 3.0191 3.0191 90 90 90 Pm3m |
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atom x y z occ Uiso |
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Ti .5 .5 .5 .9419 .01174 |
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Ni 0 0 0 .10581 .01174 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ti50.75Ni47.75Fe1.50 |
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Sitepu H |
| |
Powder Diffraction 22 (2007) 209-218 |
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Structural refinement of neutron powder diffraction data of two-stage |
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martensitic phase transformations in Ti50.75Ni47.75Fe1.50 shape memory alloy |
|
Locality: synthetic |
|
_database_code_amcsd 0018295 |
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7.3715 7.3715 5.3020 90 90 120 P-3 |
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atom x y z occ Uiso |
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Ti1 0 0 0 .885 .00915 |
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Ni1 0 0 .5 .00641 |
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Ti2 -.00864 .3242 .65670 .885 .00915 |
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Ni2 -.01872 .32588 .14702 .00641 |
|
Ti3 1/3 2/3 .0299 .885 .00915 |
|
Ni3 1/3 2/3 .5656 .00641 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ti50.75Ni47.75Fe1.50 |
| |
Sitepu H |
| |
Powder Diffraction 22 (2007) 209-218 |
|
Structural refinement of neutron powder diffraction data of two-stage |
|
martensitic phase transformations in Ti50.75Ni47.75Fe1.50 shape memory alloy |
|
Locality: synthetic |
|
_database_code_amcsd 0018296 |
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2.92617 4.17272 4.69631 90 90 97.4036 P2_1/m |
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atom x y z occ Uiso |
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Ti .5822 .2884 .25 .921 .0100 |
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Ni .0260 .1757 .75 1.079 .0100 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Molybdite |
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Sitepu H |
| |
Powder Diffraction 24 (2009) 315-326 |
|
Texture and structural refinement using neutron diffraction data from |
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molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy |
|
Note: March model |
|
Locality: synthetic |
|
_database_code_amcsd 0018893 |
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3.9624 13.860 3.6971 90 90 90 Pbnm |
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atom x y z Uiso |
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Mo .08503 .10133 .25 .006 |
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O1 .0348 .22120 .25 .013 |
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O2 .5211 .08807 .25 .009 |
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O3 .5019 .4361 .25 .007 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Molybdite |
|
Sitepu H |
| |
Powder Diffraction 24 (2009) 315-326 |
|
Texture and structural refinement using neutron diffraction data from |
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molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy |
|
Note: Generalized spherical-harmonic model |
|
Locality: synthetic |
|
_database_code_amcsd 0018894 |
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3.9624 13.860 3.6971 90 90 90 Pbnm |
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atom x y z Uiso |
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Mo .08490 .10126 .25 .007 |
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O1 .0350 .22139 .25 .013 |
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O2 .5209 .08828 .25 .010 |
|
O3 .5016 .4363 .25 .007 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Calcite |
|
Sitepu H |
| |
Powder Diffraction 24 (2009) 315-326 |
|
Texture and structural refinement using neutron diffraction data from |
|
molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy |
|
Note: Generalized spherical-harmonic model |
|
Locality: synthetic |
|
_database_code_amcsd 0018895 |
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4.99026 4.99026 17.0684 90 90 120 R-3c |
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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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Ca 0 0 0 .0182 .0182 .0165 .0091 0 0 |
|
C 0 0 .25 .0143 .0143 .0171 .00715 0 0 |
|
O .25644 0 .25 .0190 .0265 .0258 .01325 -.00412 -.00824 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Calcite |
|
Sitepu H |
| |
Powder Diffraction 24 (2009) 315-326 |
|
Texture and structural refinement using neutron diffraction data from |
|
molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy |
|
Note: March model |
|
Locality: synthetic |
|
_database_code_amcsd 0018896 |
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4.99029 4.99029 17.0687 90 90 120 R-3c |
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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) |
|
Ca 0 0 0 .0174 .0174 .0210 .0087 0 0 |
|
C 0 0 .25 .0132 .0132 .0175 .0066 0 0 |
|
O .25667 0 .25 .0172 .0225 .0273 .01125 -.00342 -.00684 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure
|
| |
|
TiNi |
| |
Sitepu H |
| |
Powder Diffraction 24 (2009) 315-326 |
|
Texture and structural refinement using neutron diffraction data from |
|
molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy |
|
Note: Annealed |
|
Locality: synthetic |
|
_database_code_amcsd 0018897 |
|
3.00896 3.00896 3.00896 90 90 90 Pm3m |
|
atom x y z occ Uiso |
|
Ti .5 .5 .5 .507 .004 |
|
Ni 0 0 0 .493 .0329 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
TiNi |
| |
Sitepu H |
| |
Powder Diffraction 24 (2009) 315-326 |
|
Texture and structural refinement using neutron diffraction data from |
|
molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy |
|
Note: Aged |
|
Locality: synthetic |
|
_database_code_amcsd 0018898 |
|
3.01302 3.01302 3.01302 90 90 90 Pm3m |
|
atom x y z occ Uiso |
|
Ti .5 .5 .5 .507 .00954 |
|
Ni 0 0 0 .493 .02596 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
TiNi |
| |
Sitepu H |
| |
Powder Diffraction 24 (2009) 315-326 |
|
Texture and structural refinement using neutron diffraction data from |
|
molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy |
|
Note: Aged |
|
Locality: synthetic |
|
_database_code_amcsd 0018899 |
|
7.34100 7.34100 5.26996 90 90 120 P-3 |
|
atom x y z Uiso |
|
Ti 0 0 0 .0064 |
|
Ti .341 -.0067 .3348 .0064 |
|
Ti 1/3 2/3 .023 .0064 |
|
Ni 0 0 .5 .0155 |
|
Ni .3257 -.0182 .8558 .0155 |
|
Ni 1/3 2/3 .5610 .0155 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
TiNi |
| |
Sitepu H |
| |
Powder Diffraction 24 (2009) 315-326 |
|
Texture and structural refinement using neutron diffraction data from |
|
molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy |
|
Note: Annealed |
|
Locality: synthetic |
|
_database_code_amcsd 0018900 |
|
2.87580 4.12644 4.6325 90 90 96.964 P2_1/m |
|
atom x y z Uiso |
|
Ti .594 .2929 .25 .033 |
|
Ni -.0334 -.1760 .75 .0105 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
TiNi |
| |
Sitepu H |
| |
Powder Diffraction 24 (2009) 315-326 |
|
Texture and structural refinement using neutron diffraction data from |
|
molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy |
|
Note: Aged |
|
Locality: synthetic |
|
_database_code_amcsd 0018901 |
|
2.8894 4.1334 4.6321 90 90 96.929 P2_1/m |
|
atom x y z Uiso |
|
Ti .564 .2942 .25 .0105 |
|
Ni -.0331 -.1771 .75 .0053 |
|
|
| 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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