American Mineralogist Crystal Structure Database

7 matching records for this search.

Nontronite
Download hom/nontronite.pdf
Manceau A, Chateigner D, Gates W P
 
Physics and Chemistry of Minerals 25 (1998) 347-365
Polarized EXAFS, distance-valence least-squares modelling (DVLS),
and quantitative texture analysis approaches to the structural
refinement of Garfield nontronite
_database_code_amcsd 0008146
5.277 9.14 9.78 90 101.0 90 C2/m
atom    x    y    z  occ
Na     .5    0   .5   .5
Fe      0 .667    0
Si   .431 .328 .288 .866
Al   .431 .328 .288 .134
O1   .364 .313 .115
O2   .489   .5 .330
O3   .186 .731 .353
OH4  .396    0 .115
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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 0014390
4.2579 4.2579 5.2149 90 90 120 P-3
atom       x     y      z  occ   Uiso
Ti1        0     0      0 .880 .00768
Ni2        0     0     .5      .00519
Ti3  -.00805 .3259 .65701 .880 .00768
Ni4  -.01929 .3245 .14673      .00519
Ti5      1/3   2/3 .03045 .880 .00768
Ni6      1/3   2/3 .56383      .00519
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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
4.2579 4.2579 5.2149 90 90 120 P3
atom      x     y      z  occ   Uiso
Ti1       0     0      0 .875 .00714
Ni2       0     0  .5249      .00587
Ti3  -.0129 .3248  .6463 .875 .00714
Ni4  -.0116 .3364  .1306      .00587
Ti5     1/3   2/3  .0150 .875 .00714
Ni6     1/3   2/3  .5301      .00587
Ti7   .0063 .6748  .3314 .875 .00714
Ni8   .0204 .6834  .8336      .00587
Ti9     2/3   1/3 -.0447 .875 .00714
Ni10    2/3   1/3  .4172      .00587
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View JMOL 3-D Structure (permalink)
 
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
4.2579 4.2579 5.2149 90 90 120 P31m
atom   x      y     z  occ   Uiso
Ti1    0      0     0 .876 .02385
Ni2    0      0 .4714      .00941
Ti3    0  .3233 .6970 .876 .00709
Ni4    0 .32134 .1825      .00374
Ti5  1/3    2/3 .0579 .876 .00420
Ni6  1/3    2/3 .5810      .00737
Ti7    0  .6621 .3788 .876 .00764
Ni8    0 .64515 .8852      .00494
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Vaterite
Download hom/vaterite.pdf
Le Bail A, Ouhenia S, Chateigner D
 
Powder Diffraction 26 (2011) 16-21
Microtwinning hypothesis for a more ordered vaterite model
Locality: synthetic
_database_code_amcsd 0019019
8.4721 7.1575 4.1265 90 90 90 Ama2
atom     x     y     z Biso
Ca      .5    .5     0 1.86
C      .25  .640  .452 3.12
O1   .3795 .6711 .5636 3.12
O2     .25 .5432 .1912 3.12
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Vaterite
Download hom/vaterite.pdf
Le Bail A, Ouhenia S, Chateigner D
 
Powder Diffraction 26 (2011) 16-21
Microtwinning hypothesis for a more ordered vaterite model
Note: Meyer (1959) model, not preferred
Locality: synthetic
_database_code_amcsd 0019140
4.1291 7.1581 8.4764 90 90 90 Pbnm
atom      x     y     z Biso
Ca        0     0     0 1.68
C     .0794  .646   .25  4.3
O1    .3722 .5890   .25  4.3
O2   -.0552 .6678 .1219  4.3
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View JMOL 3-D Structure (permalink)
 
Vaterite
Download hom/vaterite.pdf
Le Bail A, Ouhenia S, Chateigner D
 
Powder Diffraction 26 (2011) 16-21
Microtwinning hypothesis for a more ordered vaterite model
Note: Kamhi (1963) model, not preferred
Locality: synthetic
_database_code_amcsd 0019141
4.1304 4.1304 8.4749 90 90 120 P6_3/mmc
atom     x     y     z occ Biso
Ca       0     0     0     1.84
C    .7074 .4148   .75 1/3 2.65
O1   .6242 .2484 .6210 1/3 2.65
O2   .8793 .7586   .75 1/3 2.65
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 7
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