American Mineralogist Crystal Structure Database

37 matching records for this search.

Ulvospinel
Download hom/ulvospinel.pdf
Bosi F, Halenius U, Skogby H
Download am/vol94/AM94_181.pdf
American Mineralogist 94 (2009) 181-189
Crystal chemistry of the magnetite-ulvospinel series
Locality: synthetic
Note: FeTi50Bd
_database_code_amcsd 0004822
8.4716 8.4716 8.4716 90 90 90 *Fd3m
.125 .125 .125
atom     x      y      z   occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
FeT   .125   .125   .125       .0076  .0076  .0076       0       0       0
FeM     .5     .5     .5 .6935 .0067  .0067  .0067 -.00003 -.00003 -.00003
TiM     .5     .5     .5 .2925 .0067  .0067  .0067 -.00003 -.00003 -.00003
AlM     .5     .5     .5  .014 .0067  .0067  .0067 -.00003 -.00003 -.00003
O   .25797 .25797 .25797       .0109  .0109  .0109  -.0007  -.0007  -.0007
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ulvospinel
Download hom/ulvospinel.pdf
Bosi F, Halenius U, Skogby H
Download am/vol94/AM94_181.pdf
American Mineralogist 94 (2009) 181-189
Crystal chemistry of the magnetite-ulvospinel series
Locality: synthetic
Note: FeTi50C
_database_code_amcsd 0004823
8.4875 8.4875 8.4875 90 90 90 *Fd3m
.125 .125 .125
atom     x      y      z  occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
FeT   .125   .125   .125       .0098  .0098  .0098       0       0       0
FeM     .5     .5     .5 .678  .0088  .0088  .0088 -.00011 -.00011 -.00011
TiM     .5     .5     .5 .322  .0088  .0088  .0088 -.00011 -.00011 -.00011
O   .25827 .25827 .25827       .0128  .0128  .0128  -.0006  -.0006  -.0006
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ulvospinel
Download hom/ulvospinel.pdf
Bosi F, Halenius U, Skogby H
Download am/vol94/AM94_181.pdf
American Mineralogist 94 (2009) 181-189
Crystal chemistry of the magnetite-ulvospinel series
Locality: synthetic
Note: FeTi40A
_database_code_amcsd 0004824
8.4972 8.4972 8.4972 90 90 90 *Fd3m
.125 .125 .125
atom     x      y      z   occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
FeT   .125   .125   .125        .0093  .0093  .0093       0       0       0
FeM     .5     .5     .5 .6435  .0077  .0077  .0077 -.00020 -.00020 -.00020
TiM     .5     .5     .5 .3565  .0077  .0077  .0077 -.00020 -.00020 -.00020
O   .25855 .25855 .25855        .0128  .0128  .0128  -.0011  -.0011  -.0011
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ulvospinel
Download hom/ulvospinel.pdf
Bosi F, Halenius U, Skogby H
Download am/vol94/AM94_181.pdf
American Mineralogist 94 (2009) 181-189
Crystal chemistry of the magnetite-ulvospinel series
Locality: synthetic
Note: FeTi60A
_database_code_amcsd 0004825
8.4975 8.4975 8.4975 90 90 90 *Fd3m
.125 .125 .125
atom     x      y      z   occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
FeT   .125   .125   .125        .0073  .0073  .0073       0       0       0
FeM     .5     .5     .5  .655  .0058  .0058  .0058 -.00027 -.00027 -.00027
TiM     .5     .5     .5  .345  .0058  .0058  .0058 -.00027 -.00027 -.00027
O   .25917 .25917 .25917        .0108  .0108  .0108  -.0019  -.0019  -.0019
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ulvospinel
Download hom/ulvospinel.pdf
Bosi F, Halenius U, Skogby H
Download am/vol94/AM94_181.pdf
American Mineralogist 94 (2009) 181-189
Crystal chemistry of the magnetite-ulvospinel series
Locality: synthetic
Note: FeTi70A
_database_code_amcsd 0004826
8.5052 8.5052 8.5052 90 90 90 *Fd3m
.125 .125 .125
atom     x      y      z   occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
FeT   .125   .125   .125        .0130  .0130  .0130       0       0       0
FeM     .5     .5     .5  .624  .0115  .0115  .0115 -.00049 -.00049 -.00049
TiM     .5     .5     .5  .376  .0115  .0115  .0115 -.00049 -.00049 -.00049
O   .25947 .25947 .25947        .0165  .0165  .0165  -.0011  -.0011  -.0011
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ulvospinel
Download hom/ulvospinel.pdf
Bosi F, Halenius U, Skogby H
Download am/vol94/AM94_181.pdf
American Mineralogist 94 (2009) 181-189
Crystal chemistry of the magnetite-ulvospinel series
Locality: synthetic
Note: FeTi80Ac
_database_code_amcsd 0004827
8.5059 8.5059 8.5059 90 90 90 *Fd3m
.125 .125 .125
atom     x      y      z   occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
FeT   .125   .125   .125        .0075  .0075  .0075       0       0       0
FeM     .5     .5     .5 .6235  .0057  .0057  .0057 -.00025 -.00025 -.00025
TiM     .5     .5     .5 .3755  .0057  .0057  .0057 -.00025 -.00025 -.00025
O   .25924 .25924 .25924        .0111  .0111  .0111  -.0016  -.0016  -.0016
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ulvospinel
Download hom/ulvospinel.pdf
Bosi F, Halenius U, Skogby H
Download am/vol94/AM94_181.pdf
American Mineralogist 94 (2009) 181-189
Crystal chemistry of the magnetite-ulvospinel series
Locality: synthetic
Note: FeTi80Af
_database_code_amcsd 0004828
8.5079 8.5079 8.5079 90 90 90 *Fd3m
.125 .125 .125
atom     x      y      z   occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
FeT   .125   .125   .125        .0075  .0075  .0075       0       0       0
FeM     .5     .5     .5  .622  .0057  .0057  .0057 -.00022 -.00022 -.00022
TiM     .5     .5     .5  .378  .0057  .0057  .0057 -.00022 -.00022 -.00022
O   .25912 .25912 .25912        .0113  .0113  .0113  -.0019  -.0019  -.0019
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ulvospinel
Download hom/ulvospinel.pdf
Bosi F, Halenius U, Skogby H
Download am/vol94/AM94_181.pdf
American Mineralogist 94 (2009) 181-189
Crystal chemistry of the magnetite-ulvospinel series
Locality: synthetic
Note: FeTib3
_database_code_amcsd 0004829
8.5139 8.5139 8.5139 90 90 90 *Fd3m
.125 .125 .125
atom     x      y      z   occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
FeT   .125   .125   .125        .0075  .0075  .0075       0       0       0
FeM     .5     .5     .5    .6  .0054  .0054  .0054 -.00051 -.00051 -.00051
TiM     .5     .5     .5    .4  .0054  .0054  .0054 -.00051 -.00051 -.00051
O   .25980 .25980 .25980        .0113  .0113  .0113  -.0024  -.0024  -.0024
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ulvospinel
Download hom/ulvospinel.pdf
Bosi F, Halenius U, Skogby H
Download am/vol94/AM94_181.pdf
American Mineralogist 94 (2009) 181-189
Crystal chemistry of the magnetite-ulvospinel series
Locality: synthetic
Note: FeTib2
_database_code_amcsd 0004830
8.5220 8.5220 8.5220 90 90 90 *Fd3m
.125 .125 .125
atom     x      y      z   occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
FeT   .125   .125   .125        .0073  .0073  .0073       0       0       0
FeM     .5     .5     .5 .5775  .0049  .0049  .0049 -.00058 -.00058 -.00058
TiM     .5     .5     .5 .4225  .0049  .0049  .0049 -.00058 -.00058 -.00058
O   .26025 .26025 .26025        .0110  .0110  .0110  -.0029  -.0029  -.0029
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ulvospinel
Download hom/ulvospinel.pdf
Bosi F, Halenius U, Skogby H
Download am/vol94/AM94_181.pdf
American Mineralogist 94 (2009) 181-189
Crystal chemistry of the magnetite-ulvospinel series
Locality: synthetic
Note: FeTib4
_database_code_amcsd 0004831
8.5274 8.5274 8.5274 90 90 90 *Fd3m
.125 .125 .125
atom     x      y      z   occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
FeT   .125   .125   .125        .0117  .0117  .0117       0       0       0
FeM     .5     .5     .5  .546  .0092  .0092  .0092 -.00068 -.00068 -.00068
TiM     .5     .5     .5  .454  .0092  .0092  .0092 -.00068 -.00068 -.00068
O   .26065 .26065 .26065        .0156  .0156  .0156  -.0034  -.0034  -.0034
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ulvospinel
Download hom/ulvospinel.pdf
Bosi F, Halenius U, Skogby H
Download am/vol94/AM94_181.pdf
American Mineralogist 94 (2009) 181-189
Crystal chemistry of the magnetite-ulvospinel series
Locality: synthetic
Note: FeTib1c
_database_code_amcsd 0004832
8.5307 8.5307 8.5307 90 90 90 *Fd3m
.125 .125 .125
atom     x      y      z   occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
FeT   .125   .125   .125        .0077  .0077  .0077       0       0       0
FeM     .5     .5     .5  .535  .0051  .0051  .0051 -.00068 -.00068 -.00068
TiM     .5     .5     .5  .465  .0051  .0051  .0051 -.00068 -.00068 -.00068
O   .26077 .26077 .26077        .0119  .0119  .0119  -.0038  -.0038  -.0038
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ulvospinel
Download hom/ulvospinel.pdf
Bosi F, Halenius U, Skogby H
Download am/vol94/AM94_181.pdf
American Mineralogist 94 (2009) 181-189
Crystal chemistry of the magnetite-ulvospinel series
Locality: synthetic
Note: FeTib1b
_database_code_amcsd 0004833
8.5322 8.5322 8.5322 90 90 90 *Fd3m
.125 .125 .125
atom     x      y      z   occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
FeT   .125   .125   .125        .0104  .0104  .0104       0       0       0
FeM     .5     .5     .5 .5275  .0076  .0076  .0076 -.00071 -.00071 -.00071
TiM     .5     .5     .5 .4725  .0076  .0076  .0076 -.00071 -.00071 -.00071
O   .26074 .26074 .26074        .0143  .0143  .0143  -.0035  -.0035  -.0035
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ulvospinel
Download hom/ulvospinel.pdf
Yamanaka T, Kyono A, Nakamoto Y, Meng Y, Kharlamova S, Struzhkin V V, Mao H
 
American Mineralogist 98 (2013) 736-744
High-pressure phase transitions of Fe3-xTixO4 solid solution
up to 60 GPa correlated with electronic spin transition
Locality: synthetic
Note: P = 5.58 GPa
_database_code_amcsd 0019929
8.4480 8.4480 8.4480 90 90 90 Fd3m
atom     x     y     z occ
Fe1      0     0     0
Ti2   .625  .625  .625  .5
Fe2   .625  .625  .625  .5
O    .3858 .3858 .3858
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ulvospinel
Download hom/ulvospinel.pdf
Yamanaka T, Kyono A, Nakamoto Y, Meng Y, Kharlamova S, Struzhkin V V, Mao H
 
American Mineralogist 98 (2013) 736-744
High-pressure phase transitions of Fe3-xTixO4 solid solution
up to 60 GPa correlated with electronic spin transition
Locality: synthetic
Note: P = 7 GPa
_database_code_amcsd 0019930
8.521 8.521 8.521 90 90 90 Fd3m
atom     x     y     z occ
Fe1      0     0     0
Ti2   .625  .625  .625  .5
Fe2   .625  .625  .625  .5
O    .3629 .3629 .3629
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ulvospinel
Download hom/ulvospinel.pdf
Yamanaka T, Kyono A, Nakamoto Y, Meng Y, Kharlamova S, Struzhkin V V, Mao H
 
American Mineralogist 98 (2013) 736-744
High-pressure phase transitions of Fe3-xTixO4 solid solution
up to 60 GPa correlated with electronic spin transition
Locality: synthetic
Note: P = 14 GPa
_database_code_amcsd 0019931
5.9052 5.9052 8.1834 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z
Fe1  0     0    .5
Ti2  0   .75  .125
O    0 .0293 .2522
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ulvospinel
Download hom/ulvospinel.pdf
Yamanaka T, Kyono A, Nakamoto Y, Meng Y, Kharlamova S, Struzhkin V V, Mao H
 
American Mineralogist 98 (2013) 736-744
High-pressure phase transitions of Fe3-xTixO4 solid solution
up to 60 GPa correlated with electronic spin transition
Locality: synthetic
Note: P = 50 GPa
_database_code_amcsd 0019932
2.685 9.228 9.099 90 90 90 Cmcm
atom x    y    z occ
Fe1  0 .396  .25
Ti2  0 .133 .068  .5
Fe2  0 .133 .068  .5
O1   0 .109  .25
O2   0 .261 .623
O3   0   .5    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)