|
Fe2SiO4 |
| |
Yagi T, Marumo F, Akimoto S I |
 |
American Mineralogist 59 (1974) 486-490 |
|
Crystal structures of spinel polymorphs of Fe2SiO4 and Ni2SiO4 |
|
_database_code_amcsd 0000404 |
|
8.234 8.234 8.234 90 90 90 Fd3m |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Fe .625 .625 .625 .989 .0015 .0015 .0015 -.0001 -.0001 -.0001 |
|
Si .625 .625 .625 .011 .0015 .0015 .0015 -.0001 -.0001 -.0001 |
|
Fe 0 0 0 .023 .0010 .0010 .0010 0 0 0 |
|
Si 0 0 0 .977 .0010 .0010 .0010 0 0 0 |
|
O .3658 .3658 .3658 .0015 .0015 .0015 -.0001 -.0001 -.0001 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ni2SiO4 |
| |
Yagi T, Marumo F, Akimoto S I |
|
American Mineralogist 59 (1974) 486-490 |
|
Crystal structures of spinel polymorphs of Fe2SiO4 and Ni2SiO4 |
|
_database_code_amcsd 0000405 |
|
8.044 8.044 8.044 90 90 90 Fd3m |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ni .625 .625 .625 .990 .0013 .0013 .0013 -.0003 -.0003 -.0003 |
|
Si .625 .625 .625 .010 .0013 .0013 .0013 -.0003 -.0003 -.0003 |
|
Si 0 0 0 .995 .0011 .0011 .0011 0 0 0 |
|
Ni 0 0 0 .005 .0011 .0011 .0011 0 0 0 |
|
O .3687 .3687 .3687 .0014 .0014 .0014 .0005 .0005 .0005 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ni2SiO4 |
| |
Finger L W, Hazen R M, Yagi T |
|
American Mineralogist 64 (1979) 1002-1009 |
|
Crystal structures and electron densities of nickel and iron silicate spinels at |
|
elevated temperature or pressure |
|
P = 0.001 kbar, T = 23 C |
|
_database_code_amcsd 0000741 |
|
8.0442 8.0442 8.0442 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ni .5 .5 .5 .00096 .00096 .00096 -.00005 -.00005 -.00005 |
|
Si .125 .125 .125 .00076 .00076 .00076 0 0 0 |
|
O .2439 .2439 .2439 .00130 .00130 .00130 -.00015 -.00015 -.00015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ni2SiO4 |
| |
Finger L W, Hazen R M, Yagi T |
|
American Mineralogist 64 (1979) 1002-1009 |
|
Crystal structures and electron densities of nickel and iron silicate spinels at |
|
elevated temperature or pressure |
|
P = 0.001 kbar, T = 700 C |
|
_database_code_amcsd 0000742 |
|
8.095 8.095 8.095 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Biso |
|
Ni .5 .5 .5 1.14 |
|
Si .125 .125 .125 0.87 |
|
O .2435 .2435 .2435 1.21 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ni2SiO4 |
| |
Finger L W, Hazen R M, Yagi T |
|
American Mineralogist 64 (1979) 1002-1009 |
|
Crystal structures and electron densities of nickel and iron silicate spinels at |
|
elevated temperature or pressure |
|
P = 11.2 kbar, T = 23 C |
|
_database_code_amcsd 0000743 |
|
8.0302 8.0302 8.0302 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Biso |
|
Ni .5 .5 .5 0.54 |
|
Si .125 .125 .125 0.44 |
|
O .2440 .2440 .2440 0.65 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ni2SiO4 |
| |
Finger L W, Hazen R M, Yagi T |
|
American Mineralogist 64 (1979) 1002-1009 |
|
Crystal structures and electron densities of nickel and iron silicate spinels at |
|
elevated temperature or pressure |
|
P = 22.5 kbar, T = 23 C |
|
_database_code_amcsd 0000744 |
|
8.0170 8.0170 8.0170 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Biso |
|
Ni .5 .5 .5 0.43 |
|
Si .125 .125 .125 0.39 |
|
O .2441 .2441 .2441 0.42 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ni2SiO4 |
| |
Finger L W, Hazen R M, Yagi T |
|
American Mineralogist 64 (1979) 1002-1009 |
|
Crystal structures and electron densities of nickel and iron silicate spinels at |
|
elevated temperature or pressure |
|
P = 31.0 kbar, T = 23 C |
|
_database_code_amcsd 0000745 |
|
8.0086 8.0086 8.0086 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Biso |
|
Ni .5 .5 .5 0.39 |
|
Si .125 .125 .125 0.26 |
|
O .2442 .2442 .2442 0.45 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ni2SiO4 |
| |
Finger L W, Hazen R M, Yagi T |
|
American Mineralogist 64 (1979) 1002-1009 |
|
Crystal structures and electron densities of nickel and iron silicate spinels at |
|
elevated temperature or pressure |
|
P = 36.5 kbar, T = 23 C |
|
_database_code_amcsd 0000746 |
|
8.0036 8.0036 8.0036 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Biso |
|
Ni .5 .5 .5 0.45 |
|
Si .125 .125 .125 0.35 |
|
O .2445 .2445 .2445 0.48 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ni2SiO4 |
| |
Finger L W, Hazen R M, Yagi T |
|
American Mineralogist 64 (1979) 1002-1009 |
|
Crystal structures and electron densities of nickel and iron silicate spinels at |
|
elevated temperature or pressure |
|
P = 38.2 kbar, T = 23 C |
|
_database_code_amcsd 0000747 |
|
8.0014 8.0014 8.0014 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Biso |
|
Ni .5 .5 .5 0.51 |
|
Si .125 .125 .125 0.53 |
|
O .2450 .2450 .2450 0.78 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fe2SiO4 |
| |
Finger L W, Hazen R M, Yagi T |
|
American Mineralogist 64 (1979) 1002-1009 |
|
Crystal structures and electron densities of nickel and iron silicate spinels at |
|
elevated temperature or pressure |
|
P = 0.001 kbar, T = 23 C |
|
_database_code_amcsd 0000748 |
|
8.236 8.236 8.236 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Biso |
|
Fe .5 .5 .5 0.40 |
|
Si .125 .125 .125 0.27 |
|
O .2409 .2409 .2409 0.41 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
MgSiO3 |
| |
Yagi T, Mao H K, Bell P M |
| |
Physics and Chemistry of Minerals 3 (1978) 97-110 |
|
Structure and crystal chemistry of perovskite-type MgSiO3 |
|
Sample: P = 1 bar, T = 25 C |
|
_database_code_amcsd 0007339 |
|
4.780 4.933 6.902 90 90 90 Pbnm |
|
atom x y z Biso |
|
Mg .974 .063 .25 .5 |
|
Si 0 .5 0 .5 |
|
O1 .096 .477 .25 .8 |
|
O2 .696 .291 .056 .8 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
CaPtO3 |
| |
Ohgushi K, Matsushita Y, Miyajima N, Katsuya Y,Tanaka M, Izumi F, Gotou H, Ueda Y, Yagi T |
| |
Physics and Chemistry of Minerals 35 (2008) 189-195 |
|
CaPtO3 as a novel post-perovskite oxide |
|
_database_code_amcsd 0009131 |
|
3.12607 9.91983 7.35059 90 90 90 Cmcm |
|
atom x y z |
|
Ca 0 .2500 .25 |
|
Pt 0 0 0 |
|
O1 .5 .4253 .25 |
|
O2 .5 .1230 .0451 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
FeTi3O7 |
| |
Nishio-Hamane D, Zhang M, Yagi T, Ma Y |
| |
American Mineralogist 97 (2012) 568-572 |
|
High-pressure and high-temperature phase transitions in FeTiO3 |
|
and a new dense FeTi3O7 structure |
|
Note: P = 61 GPa, T = 300 K |
|
Locality: synthetic |
|
_database_code_amcsd 0018864 |
|
9.9522 2.7397 5.9953 90 90 90 Imm2 |
|
atom x y z |
|
Fe1 0 0 .665 |
|
Ti1 0 .5 .205 |
|
Ti2 .2328 0 .896 |
|
O1 0 0 -.013 |
|
O2 .3013 0 .607 |
|
O3 .651 0 .223 |
|
O4 .885 0 .386 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
