American Mineralogist Crystal Structure Database

12 matching records for this search.

Tausonite
Download hom/tausonite.pdf
Yamanaka T, Hirai M, Komatsu Y
Download am/vol87/AM87_1183.pdf
American Mineralogist 87 (2002) 1183-1189
Structure change of Ca1-xSrxTiO3 perovskite with composition and pressure
Sample: Ca.4Sr.6TiO3, x = 0.6
_database_code_amcsd 0002893
5.4784 5.4791 7.7517 90 90 90 Pbnm
atom     x     y     z occ Biso
Ca   .9975 .0053   .25  .4  .74
Sr   .9975 .0053   .25  .6  .74
Ti      .5     0     0      .82
O1    .005  .496   .25      1.5
O2    .739  .262  .022      1.6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tausonite
Download hom/tausonite.pdf
Yamanaka T, Hirai M, Komatsu Y
Download am/vol87/AM87_1183.pdf
American Mineralogist 87 (2002) 1183-1189
Structure change of Ca1-xSrxTiO3 perovskite with composition and pressure
Sample: Ca.35Sr.65TiO3, x = 0.65
_database_code_amcsd 0002894
5.4801 5.4801 7.7619 90 90 90 I4/mcm
atom    x    y   z occ Biso
Ca      0   .5 .25 .35  .65
Sr      0   .5 .25 .65  .65
Ti      0    0   0      .66
O1      0    0 .25      1.6
O2   .776 .276   0      1.7
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tausonite
Download hom/tausonite.pdf
Yamanaka T, Hirai M, Komatsu Y
Download am/vol87/AM87_1183.pdf
American Mineralogist 87 (2002) 1183-1189
Structure change of Ca1-xSrxTiO3 perovskite with composition and pressure
Sample: SrTiO3, x = 1.0
_database_code_amcsd 0002895
5.5202 5.5202 7.8067 90 90 90 Pbnm
atom     x     y   z Biso
Sr       0     0 .25  .48
Ti      .5     0   0  .40
O1       0    .5 .25  1.3
O2     .75   .25   0  1.6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tausonite
Download hom/tausonite.pdf
Yamanaka T, Hirai M, Komatsu Y
Download am/vol87/AM87_1183.pdf
American Mineralogist 87 (2002) 1183-1189
Structure change of Ca1-xSrxTiO3 perovskite with composition and pressure
Sample: P = 4.1 GPa, Ca.35Sr.65TiO3
_database_code_amcsd 0002896
5.423 5.420 7.647 90 90 90 Pbnm
atom    x    y    z occ Biso
Ca   .969 .024  .25 .35  .76
Sr   .969 .024  .25 .65  .76
Ti      0   .5    0      .62
O1   .035 .527  .25     1.43
O2   .765 .243 .011     1.32
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tausonite
Download hom/tausonite.pdf
Yamanaka T, Hirai M, Komatsu Y
Download am/vol87/AM87_1183.pdf
American Mineralogist 87 (2002) 1183-1189
Structure change of Ca1-xSrxTiO3 perovskite with composition and pressure
Sample: P = 7.0 GPa, Ca.35Sr.65TiO3
_database_code_amcsd 0002897
5.415 5.412 7.637 90 90 90 Pbnm
atom    x    y    z occ Biso
Ca   .988 .012  .25 .35  .22
Sr   .988 .012  .25 .65  .22
Ti      0   .5    0      .51
O1   .036 .543  .25     2.20
O2   .768 .233 .010      .75
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tausonite
Download hom/tausonite.pdf
Mitchell R H, Chakhmouradian A R, Woodward P M
 
Physics and Chemistry of Minerals 27 (2000) 583-589
Crystal chemistry of perovskite-type compounds in the
tausonite-loparite series, (Sr1-2xNaxLax)TiO3
Sample: synchrotron XRD data
_database_code_amcsd 0008445
5.49755 5.49755 7.78810 90 90 90 I4/mcm
atom     x     y   z occ Biso
SrA      0    .5 .25  .5  .28
NaA      0    .5 .25 .25  .28
LaA      0    .5 .25 .25  .28
Ti       0     0   0      .22
O1       0     0 .25      .26
O2   .2248 .7248   0      .26
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tausonite
Download hom/tausonite.pdf
Mitchell R H, Chakhmouradian A R, Woodward P M
 
Physics and Chemistry of Minerals 27 (2000) 583-589
Crystal chemistry of perovskite-type compounds in the
tausonite-loparite series, (Sr1-2xNaxLax)TiO3
Sample: x = 0.00
_database_code_amcsd 0008446
3.90528 3.90528 3.90528 90 90 90 Pm-3m
atom  x  y  z
SrA  .5 .5 .5
Ti    0  0  0
O    .5  0  0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tausonite
Download hom/tausonite.pdf
Mitchell R H, Chakhmouradian A R, Woodward P M
 
Physics and Chemistry of Minerals 27 (2000) 583-589
Crystal chemistry of perovskite-type compounds in the
tausonite-loparite series, (Sr1-2xNaxLax)TiO3
Sample: x = 0.05
_database_code_amcsd 0008447
3.90427 3.90427 3.90427 90 90 90 Pm-3m
atom  x  y  z occ
SrA  .5 .5 .5 .90
NaA  .5 .5 .5 .05
LaA  .5 .5 .5 .05
Ti    0  0  0
O    .5  0  0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tausonite
Download hom/tausonite.pdf
Mitchell R H, Chakhmouradian A R, Woodward P M
 
Physics and Chemistry of Minerals 27 (2000) 583-589
Crystal chemistry of perovskite-type compounds in the
tausonite-loparite series, (Sr1-2xNaxLax)TiO3
Sample: x = 0.10
_database_code_amcsd 0008448
3.90170 3.90170 3.90170 90 90 90 Pm-3m
atom  x  y  z occ
SrA  .5 .5 .5 .80
NaA  .5 .5 .5 .10
LaA  .5 .5 .5 .10
Ti    0  0  0
O    .5  0  0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tausonite
Download hom/tausonite.pdf
Mitchell R H, Chakhmouradian A R, Woodward P M
 
Physics and Chemistry of Minerals 27 (2000) 583-589
Crystal chemistry of perovskite-type compounds in the
tausonite-loparite series, (Sr1-2xNaxLax)TiO3
Sample: x = 0.15
_database_code_amcsd 0008449
5.5116 5.5116 7.8036 90 90 90 I4/mcm
atom    x    y   z occ
SrA     0   .5 .25 .70
NaA     0   .5 .25 .15
LaA     0   .5 .25 .15
Ti      0    0   0
O1      0    0 .25
O2   .239 .739   0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tausonite
Download hom/tausonite.pdf
Mitchell R H, Chakhmouradian A R, Woodward P M
 
Physics and Chemistry of Minerals 27 (2000) 583-589
Crystal chemistry of perovskite-type compounds in the
tausonite-loparite series, (Sr1-2xNaxLax)TiO3
Sample: x = 0.20
_database_code_amcsd 0008450
5.5073 5.5073 7.8018 90 90 90 I4/mcm
atom    x    y   z occ
SrA     0   .5 .25 .60
NaA     0   .5 .25 .20
LaA     0   .5 .25 .20
Ti      0    0   0
O1      0    0 .25
O2   .235 .735   0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tausonite
Download hom/tausonite.pdf
Mitchell R H, Chakhmouradian A R, Woodward P M
 
Physics and Chemistry of Minerals 27 (2000) 583-589
Crystal chemistry of perovskite-type compounds in the
tausonite-loparite series, (Sr1-2xNaxLax)TiO3
Sample: x = 0.25
_database_code_amcsd 0008451
5.5016 5.5016 7.7976 90 90 90 I4/mcm
atom    x    y   z occ Biso
SrA     0   .5 .25  .5  .93
NaA     0   .5 .25 .25  .93
LaA     0   .5 .25 .25  .93
Ti      0    0   0      .84
O1      0    0 .25      2.2
O2   .233 .733   0       .6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Download in:

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking

Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking

Total number of retrieved datasets: 12
View in amc, download in amc

Return to AMCSD Home Page