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Spinel |
 |
Andreozzi G B, Princivalle F, Skogby H, Della Giusta A |
 |
American Mineralogist 85 (2000) 1164-1171 |
|
Cation ordering and structural variations with temperature in |
|
MgAl2O4 spinel: An X-ray single crystal study |
|
Sample: SP3 |
|
_database_code_amcsd 0002477 |
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8.0844 8.0844 8.0844 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Uiso |
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Al .5 .5 .5 .990 .0042 |
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Mg .125 .125 .125 1.024 .0043 |
|
O .26223 .26223 .26223 .0072 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Spinel |
|
Andreozzi G B, Princivalle F, Skogby H, Della Giusta A |
|
American Mineralogist 85 (2000) 1164-1171 |
|
Cation ordering and structural variations with temperature in |
|
MgAl2O4 spinel: An X-ray single crystal study |
|
Sample: quenched from T = 800 C for 1 day |
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_database_code_amcsd 0002478 |
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8.0845 8.0845 8.0845 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Uiso |
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Al .5 .5 .5 .989 .0042 |
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Mg .125 .125 .125 1.026 .0045 |
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O .26222 .26222 .26222 .0075 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Andreozzi G B, Princivalle F, Skogby H, Della Giusta A |
|
American Mineralogist 85 (2000) 1164-1171 |
|
Cation ordering and structural variations with temperature in |
|
MgAl2O4 spinel: An X-ray single crystal study |
|
Sample: quenched from T = 850 C for 1 day |
|
_database_code_amcsd 0002479 |
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8.0841 8.0841 8.0841 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Uiso |
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Al .5 .5 .5 .986 .0042 |
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Mg .125 .125 .125 1.032 .0046 |
|
O .26212 .26212 .26212 .0077 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Spinel |
|
Andreozzi G B, Princivalle F, Skogby H, Della Giusta A |
|
American Mineralogist 85 (2000) 1164-1171 |
|
Cation ordering and structural variations with temperature in |
|
MgAl2O4 spinel: An X-ray single crystal study |
|
Sample: quenched from T = 900 C for 1 day |
|
_database_code_amcsd 0002480 |
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8.0840 8.0840 8.0840 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Al .5 .5 .5 .986 .0043 |
|
Mg .125 .125 .125 1.033 .0046 |
|
O .26193 .26193 .26193 .0079 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Andreozzi G B, Princivalle F, Skogby H, Della Giusta A |
|
American Mineralogist 85 (2000) 1164-1171 |
|
Cation ordering and structural variations with temperature in |
|
MgAl2O4 spinel: An X-ray single crystal study |
|
Sample: quenched from T = 950 C for 1 day |
|
_database_code_amcsd 0002481 |
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8.0838 8.0838 8.0838 90 90 90 *Fd3m |
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.125 .125 .125 |
|
atom x y z occ Uiso |
|
Al .5 .5 .5 .986 .0040 |
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Mg .125 .125 .125 1.030 .0042 |
|
O .26183 .26183 .26183 .0078 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Andreozzi G B, Princivalle F, Skogby H, Della Giusta A |
|
American Mineralogist 85 (2000) 1164-1171 |
|
Cation ordering and structural variations with temperature in |
|
MgAl2O4 spinel: An X-ray single crystal study |
|
Sample: quenched from T = 1000 C for 1 day |
|
_database_code_amcsd 0002482 |
|
8.0835 8.0835 8.0835 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Al .5 .5 .5 .986 .0041 |
|
Mg .125 .125 .125 1.034 .0043 |
|
O .26171 .26171 .26171 .0080 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Andreozzi G B, Princivalle F, Skogby H, Della Giusta A |
|
American Mineralogist 85 (2000) 1164-1171 |
|
Cation ordering and structural variations with temperature in |
|
MgAl2O4 spinel: An X-ray single crystal study |
|
Sample: quenched from T = 1100 C for 1 day |
|
_database_code_amcsd 0002483 |
|
8.0829 8.0829 8.0829 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Al .5 .5 .5 .981 .0038 |
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Mg .125 .125 .125 1.042 .0041 |
|
O .26152 .26152 .26152 .0080 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Andreozzi G B, Princivalle F, Skogby H, Della Giusta A |
|
American Mineralogist 85 (2000) 1164-1171 |
|
Cation ordering and structural variations with temperature in |
|
MgAl2O4 spinel: An X-ray single crystal study |
|
Sample: quenched from T = 950 C for 3 days |
|
_database_code_amcsd 0002484 |
|
8.0837 8.0837 8.0837 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Al .5 .5 .5 .984 .0042 |
|
Mg .125 .125 .125 1.034 .0045 |
|
O .26183 .26183 .26183 .0075 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Andreozzi G B, Princivalle F, Skogby H, Della Giusta A |
|
American Mineralogist 85 (2000) 1164-1171 |
|
Cation ordering and structural variations with temperature in |
|
MgAl2O4 spinel: An X-ray single crystal study |
|
Sample: quenched from T = 800 C for 7 days |
|
_database_code_amcsd 0002485 |
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8.0846 8.0846 8.0846 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Al .5 .5 .5 .984 .0039 |
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Mg .125 .125 .125 1.033 .0044 |
|
O .26223 .26223 .26223 .0073 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Andreozzi G B, Princivalle F, Skogby H, Della Giusta A |
|
American Mineralogist 85 (2000) 1164-1171 |
|
Cation ordering and structural variations with temperature in |
|
MgAl2O4 spinel: An X-ray single crystal study |
|
Sample: quenched from T = 700 C for 90 days |
|
_database_code_amcsd 0002486 |
|
8.0851 8.0851 8.0851 90 90 90 *Fd3m |
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.125 .125 .125 |
|
atom x y z occ Uiso |
|
Al .5 .5 .5 .992 .0038 |
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Mg .125 .125 .125 1.021 .0041 |
|
O .26251 .26251 .26251 .0065 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Andreozzi G B, Princivalle F, Skogby H, Della Giusta A |
|
American Mineralogist 85 (2000) 1164-1171 |
|
Cation ordering and structural variations with temperature in |
|
MgAl2O4 spinel: An X-ray single crystal study |
|
Sample: quenched from T = 600 C for 45 days |
|
_database_code_amcsd 0002487 |
|
8.0856 8.0856 8.0856 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Al .5 .5 .5 .990 .0037 |
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Mg .125 .125 .125 1.025 .0043 |
|
O .26286 .26286 .26286 .0059 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Andreozzi G B, Princivalle F, Skogby H, Della Giusta A |
|
American Mineralogist 85 (2000) 1164-1171 |
|
Cation ordering and structural variations with temperature in |
|
MgAl2O4 spinel: An X-ray single crystal study |
|
Sample: Z(O)=0, quenched from T = 950 C for 1 day |
|
_database_code_amcsd 0002488 |
|
8.0837 8.0837 8.0837 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) |
|
Al .5 .5 .5 .958 .0041 .0041 .0041 -.0002 -.0002 -.0002 |
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Mg .125 .125 .125 1.003 .0043 .0043 .0043 0 0 0 |
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O .26177 .26177 .26177 .0085 .0085 .0085 .0003 .0003 .0003 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Andreozzi G B, Princivalle F, Skogby H, Della Giusta A |
|
American Mineralogist 85 (2000) 1164-1171 |
|
Cation ordering and structural variations with temperature in |
|
MgAl2O4 spinel: An X-ray single crystal study |
|
Sample: Z(O)=-2, quenched from T = 950 C for 1 day |
|
_database_code_amcsd 0002489 |
|
8.0837 8.0837 8.0837 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) |
|
Al .5 .5 .5 .992 .0040 .0040 .0040 -.0002 -.0002 -.0002 |
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Mg .125 .125 .125 1.035 .0042 .0042 .0042 0 0 0 |
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O .26184 .26184 .26184 .0076 .0076 .0076 .0003 .0003 .0003 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Andreozzi G B, Princivalle F, Skogby H, Della Giusta A |
|
American Mineralogist 85 (2000) 1164-1171 |
|
Cation ordering and structural variations with temperature in |
|
MgAl2O4 spinel: An X-ray single crystal study |
|
Sample: Z(O)=-1.6, neutral cations, quenched from T = 950 C for 1 day |
|
_database_code_amcsd 0002490 |
|
8.0837 8.0837 8.0837 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) |
|
Al .5 .5 .5 .986 .0040 .0040 .0040 -.0002 -.0002 -.0002 |
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Mg .125 .125 .125 1.030 .0042 .0042 .0042 0 0 0 |
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O .26183 .26183 .26183 .0078 .0078 .0078 .0003 .0003 .0003 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Andreozzi G B, Princivalle F, Skogby H, Della Giusta A |
|
American Mineralogist 85 (2000) 1164-1171 |
|
Cation ordering and structural variations with temperature in |
|
MgAl2O4 spinel: An X-ray single crystal study |
|
Sample: Z(O)=-1.6, ionized cations, quenched from T = 950 C for 1 day |
|
_database_code_amcsd 0002491 |
|
8.0837 8.0837 8.0837 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) |
|
Al .5 .5 .5 .989 .0040 .0040 .0040 -.0002 -.0002 -.0002 |
|
Mg .125 .125 .125 1.033 .0042 .0042 .0042 0 0 0 |
|
O .26184 .26184 .26184 .0078 .0078 .0078 .0003 .0003 .0003 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Bosi F, Halenius U, Andreozzi G B, Skogby H, Lucchesi S |
|
American Mineralogist 92 (2007) 27-33 |
|
Structural refinement and crystal chemistry of Mn-doped spinel: A case for |
|
tetrahedrally coordinated Mn3+ in an oxygen-based structure |
|
Sample: MgMn01 |
|
_database_code_amcsd 0004260 |
|
8.0883 8.0883 8.0883 90 90 90 *Fd3m |
|
.125 .125 .125 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgT .125 .125 .125 .760 .0039 .0039 .0039 0 0 0 |
|
AlT .125 .125 .125 .234 .0039 .0039 .0039 0 0 0 |
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Mn2+T .125 .125 .125 .003 .0039 .0039 .0039 0 0 0 |
|
Mn3+T .125 .125 .125 .003 .0039 .0039 .0039 0 0 0 |
|
AlM .5 .5 .5 .879 .0041 .0041 .0041 0 0 0 |
|
MgM .5 .5 .5 .117 .0041 .0041 .0041 0 0 0 |
|
Mn2+M .5 .5 .5 .0015 .0041 .0041 .0041 0 0 0 |
|
Mn3+M .5 .5 .5 .003 .0041 .0041 .0041 0 0 0 |
|
O .26213 .26213 .26213 .0072 .0072 .0072 0 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
|
| |
|
Spinel |
|
Bosi F, Halenius U, Andreozzi G B, Skogby H, Lucchesi S |
|
American Mineralogist 92 (2007) 27-33 |
|
Structural refinement and crystal chemistry of Mn-doped spinel: A case for |
|
tetrahedrally coordinated Mn3+ in an oxygen-based structure |
|
Sample: MgMn05 |
|
_database_code_amcsd 0004261 |
|
8.0965 8.0965 8.0965 90 90 90 *Fd3m |
|
.125 .125 .125 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgT .125 .125 .125 .757 .0042 .0042 .0042 0 0 0 |
|
AlT .125 .125 .125 .228 .0042 .0042 .0042 0 0 0 |
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Mn2+T .125 .125 .125 .013 .0042 .0042 .0042 0 0 0 |
|
Mn3+T .125 .125 .125 .003 .0042 .0042 .0042 0 0 0 |
|
AlM .5 .5 .5 .872 .0040 .0040 .0040 0 0 0 |
|
MgM .5 .5 .5 .1045 .0040 .0040 .0040 0 0 0 |
|
Mn2+M .5 .5 .5 .011 .0040 .0040 .0040 0 0 0 |
|
Mn3+M .5 .5 .5 .0125 .0040 .0040 .0040 0 0 0 |
|
O .26212 .26212 .26212 .0081 .0081 .0081 0 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
|
| |
|
Spinel |
|
Bosi F, Halenius U, Andreozzi G B, Skogby H, Lucchesi S |
|
American Mineralogist 92 (2007) 27-33 |
|
Structural refinement and crystal chemistry of Mn-doped spinel: A case for |
|
tetrahedrally coordinated Mn3+ in an oxygen-based structure |
|
Sample: MgMn10 |
|
_database_code_amcsd 0004262 |
|
8.1321 8.1321 8.1321 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) |
|
MgT .125 .125 .125 .749 .0055 .0055 .0055 0 0 0 |
|
AlT .125 .125 .125 .134 .0055 .0055 .0055 0 0 0 |
|
Mn2+T .125 .125 .125 .027 .0055 .0055 .0055 0 0 0 |
|
Mn3+T .125 .125 .125 .089 .0055 .0055 .0055 0 0 0 |
|
AlM .5 .5 .5 .837 .0053 .0053 .0053 0 0 0 |
|
MgM .5 .5 .5 .069 .0053 .0053 .0053 0 0 0 |
|
Mn2+M .5 .5 .5 .0425 .0053 .0053 .0053 0 0 0 |
|
Mn3+M .5 .5 .5 .0515 .0053 .0053 .0053 0 0 0 |
|
O .26232 .26232 .26232 .0108 .0108 .0108 0 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
|
| |
|
Spinel |
|
Bosi F, Halenius U, Andreozzi G B, Skogby H, Lucchesi S |
|
American Mineralogist 92 (2007) 27-33 |
|
Structural refinement and crystal chemistry of Mn-doped spinel: A case for |
|
tetrahedrally coordinated Mn3+ in an oxygen-based structure |
|
Sample: MgMn20 |
|
_database_code_amcsd 0004263 |
|
8.1413 8.1413 8.1413 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) |
|
MgT .125 .125 .125 .758 .0059 .0059 .0059 0 0 0 |
|
AlT .125 .125 .125 .104 .0059 .0059 .0059 0 0 0 |
|
Mn2+T .125 .125 .125 .013 .0059 .0059 .0059 0 0 0 |
|
Mn3+T .125 .125 .125 .126 .0059 .0059 .0059 0 0 0 |
|
AlM .5 .5 .5 .823 .0053 .0053 .0053 0 0 0 |
|
MgM .5 .5 .5 .0705 .0053 .0053 .0053 0 0 0 |
|
Mn2+M .5 .5 .5 .044 .0053 .0053 .0053 0 0 0 |
|
Mn3+M .5 .5 .5 .062 .0053 .0053 .0053 0 0 0 |
|
O .26231 .26231 .26231 .0107 .0107 .0107 0 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
|
| |
|
Magnetite |
|
Bosi F, Halenius U, Skogby H |
| |
American Mineralogist 94 (2009) 181-189 |
|
Crystal chemistry of the magnetite-ulvospinel series |
|
Locality: synthetic |
|
Note: Mgt100 |
|
_database_code_amcsd 0004815 |
|
8.3967 8.3967 8.3967 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
FeT .125 .125 .125 .0056 .0056 .0056 0 0 0 |
|
FeM .5 .5 .5 .0071 .0071 .0071 .00072 .00072 .00072 |
|
O .25476 .25476 .25476 .0072 .0072 .0072 -.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
|
| |
|
Magnetite |
|
Bosi F, Halenius U, Skogby H |
| |
American Mineralogist 94 (2009) 181-189 |
|
Crystal chemistry of the magnetite-ulvospinel series |
|
Locality: synthetic |
|
Note: FeTi10C |
|
_database_code_amcsd 0004816 |
|
8.4067 8.4067 8.4067 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 .00506 .00506 .00506 0 0 0 |
|
FeM .5 .5 .5 .952 .00663 .00663 .00663 .00100 .00100 .00100 |
|
TiM .5 .5 .5 .048 .00663 .00663 .00663 .00100 .00100 .00100 |
|
O .25496 .25496 .25496 .0069 .0069 .0069 -.0008 -.0008 -.0008 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnetite |
|
Bosi F, Halenius U, Skogby H |
| |
American Mineralogist 94 (2009) 181-189 |
|
Crystal chemistry of the magnetite-ulvospinel series |
|
Locality: synthetic |
|
Note: FeTi50B |
|
_database_code_amcsd 0004817 |
|
8.4095 8.4095 8.4095 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 .0059 .0059 .0059 0 0 0 |
|
FeM .5 .5 .5 .951 .00735 .00735 .00735 .00092 .00092 .00092 |
|
TiM .5 .5 .5 .049 .00735 .00735 .00735 .00092 .00092 .00092 |
|
O .25502 .25502 .25502 .0078 .0078 .0078 -.0007 -.0007 -.0007 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnetite |
|
Bosi F, Halenius U, Skogby H |
| |
American Mineralogist 94 (2009) 181-189 |
|
Crystal chemistry of the magnetite-ulvospinel series |
|
Locality: synthetic |
|
Note: FeTi10Ai |
|
_database_code_amcsd 0004818 |
|
8.4145 8.4145 8.4145 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 .0038 .0038 .0038 0 0 0 |
|
FeM .5 .5 .5 .907 .00534 .00534 .00534 .00103 .00103 .00103 |
|
TiM .5 .5 .5 .093 .00534 .00534 .00534 .00103 .00103 .00103 |
|
O .25502 .25502 .25502 .0057 .0057 .0057 -.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
|
| |
|
Magnetite |
|
Bosi F, Halenius U, Skogby H |
| |
American Mineralogist 94 (2009) 181-189 |
|
Crystal chemistry of the magnetite-ulvospinel series |
|
Locality: synthetic |
|
Note: FeTi10Ao |
|
_database_code_amcsd 0004819 |
|
8.4250 8.4250 8.4250 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 .0092 .0092 .0092 0 0 0 |
|
FeM .5 .5 .5 .879 .0107 .0107 .0107 .00092 .00092 .00092 |
|
TiM .5 .5 .5 .121 .0107 .0107 .0107 .00092 .00092 .00092 |
|
O .25535 .25535 .25535 .0115 .0115 .0115 -.0007 -.0007 -.0007 |
|
|
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|
| |
|
Magnetite |
|
Bosi F, Halenius U, Skogby H |
| |
American Mineralogist 94 (2009) 181-189 |
|
Crystal chemistry of the magnetite-ulvospinel series |
|
Locality: synthetic |
|
Note: FeTi20A |
|
_database_code_amcsd 0004820 |
|
8.4348 8.4348 8.4348 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 .0045 .0045 .0045 0 0 0 |
|
FeM .5 .5 .5 .823 .0050 .0050 .0050 .00068 .00068 .00068 |
|
TiM .5 .5 .5 .177 .0050 .0050 .0050 .00068 .00068 .00068 |
|
O .25596 .25596 .25596 .0073 .0073 .0073 -.0006 -.0006 -.0006 |
|
|
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|
| |
|
Magnetite |
|
Bosi F, Halenius U, Skogby H |
| |
American Mineralogist 94 (2009) 181-189 |
|
Crystal chemistry of the magnetite-ulvospinel series |
|
Locality: synthetic |
|
Note: FeTi30A |
|
_database_code_amcsd 0004821 |
|
8.4569 8.4569 8.4569 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 .0059 .0059 .0059 0 0 0 |
|
FeM .5 .5 .5 .769 .00591 .00591 .00591 .00043 .00043 .00043 |
|
TiM .5 .5 .5 .231 .00591 .00591 .00591 .00043 .00043 .00043 |
|
O .25660 .25660 .25660 .0087 .0087 .0087 -.0004 -.0004 -.0004 |
|
|
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|
| |
|
Ulvospinel |
|
Bosi F, Halenius U, Skogby H |
| |
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 |
|
|
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|
| |
|
Ulvospinel |
|
Bosi F, Halenius U, Skogby H |
| |
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 |
|
|
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|
| |
|
Ulvospinel |
|
Bosi F, Halenius U, Skogby H |
| |
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 |
|
|
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|
| |
|
Ulvospinel |
|
Bosi F, Halenius U, Skogby H |
| |
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 |
|
|
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|
| |
|
Ulvospinel |
|
Bosi F, Halenius U, Skogby H |
| |
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 |
|
|
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View JMOL 3-D Structure
|
| |
|
Ulvospinel |
|
Bosi F, Halenius U, Skogby H |
| |
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 |
|
|
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|
| |
|
Ulvospinel |
|
Bosi F, Halenius U, Skogby H |
| |
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 |
|
|
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View JMOL 3-D Structure
|
| |
|
Ulvospinel |
|
Bosi F, Halenius U, Skogby H |
| |
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 |
|
|
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View JMOL 3-D Structure
|
| |
|
Ulvospinel |
|
Bosi F, Halenius U, Skogby H |
| |
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)
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View JMOL 3-D Structure
|
| |
|
Ulvospinel |
|
Bosi F, Halenius U, Skogby H |
| |
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 |
|
|
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View JMOL 3-D Structure
|
| |
|
Ulvospinel |
|
Bosi F, Halenius U, Skogby H |
| |
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 |
|
|
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|
| |
|
Ulvospinel |
|
Bosi F, Halenius U, Skogby H |
| |
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 |
|
|
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|
| |
|
Spinel |
|
Andreozzi G B, Lucchesi S, Skogby H, Della Giusta A |
| |
European Journal of Mineralogy 13 (2001) 391-402 |
|
Compositional dependence of cation distribution in some synthetic |
|
(Mg,Zn)(Al,Fe)2O4 spinels |
|
Sample: Sp3/10a |
|
_database_code_amcsd 0006861 |
|
8.0855 8.0855 8.0855 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgT .125 .125 .125 .764 .0042 |
|
AlT .125 .125 .125 .236 .0042 |
|
MgM .5 .5 .5 .118 .0043 |
|
AlM .5 .5 .5 .882 .0043 |
|
O .26213 .26213 .26213 .0075 |
|
|
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|
| |
|
Gahnite |
|
Andreozzi G B, Lucchesi S, Skogby H, Della Giusta A |
| |
European Journal of Mineralogy 13 (2001) 391-402 |
|
Compositional dependence of cation distribution in some synthetic |
|
(Mg,Zn)(Al,Fe)2O4 spinels |
|
Sample: Gah1a/a |
|
_database_code_amcsd 0006862 |
|
8.0870 8.0870 8.0870 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgT .125 .125 .125 .225 .0078 |
|
ZnT .125 .125 .125 .647 .0078 |
|
AlT .125 .125 .125 .128 .0078 |
|
MgM .5 .5 .5 .065 .0065 |
|
AlM .5 .5 .5 .935 .0065 |
|
O .26339 .26339 .26339 .0079 |
|
|
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|
| |
|
Spinel |
|
Andreozzi G B, Lucchesi S, Skogby H, Della Giusta A |
| |
European Journal of Mineralogy 13 (2001) 391-402 |
|
Compositional dependence of cation distribution in some synthetic |
|
(Mg,Zn)(Al,Fe)2O4 spinels |
|
Sample: MgF1a/6a |
|
_database_code_amcsd 0006863 |
|
8.1174 8.1174 8.1174 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgT .125 .125 .125 .728 .0049 |
|
AlT .125 .125 .125 .181 .0049 |
|
FeT .125 .125 .125 .091 .0049 |
|
MgM .5 .5 .5 .136 .0047 |
|
AlM .5 .5 .5 .8035 .0047 |
|
FeM .5 .5 .5 .0555 .0047 |
|
O .26187 .26187 .26187 .0084 |
|
|
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|
| |
|
Spinel |
|
Andreozzi G B, Lucchesi S, Skogby H, Della Giusta A |
| |
European Journal of Mineralogy 13 (2001) 391-402 |
|
Compositional dependence of cation distribution in some synthetic |
|
(Mg,Zn)(Al,Fe)2O4 spinels |
|
Sample: Frk1a/d |
|
_database_code_amcsd 0006864 |
|
8.1242 8.1242 8.1242 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgT .125 .125 .125 .618 .0046 |
|
ZnT .125 .125 .125 .148 .0046 |
|
AlT .125 .125 .125 .151 .0046 |
|
FeT .125 .125 .125 .083 .0046 |
|
MgM .5 .5 .5 .1165 .0050 |
|
AlM .5 .5 .5 .806 .0050 |
|
FeM .5 .5 .5 .0775 .0050 |
|
O .26219 .26219 .26219 .0082 |
|
|
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|
| |
|
Diopside |
|
Nazzareni S, Molin G, Skogby H, Dal Negro A |
| |
European Journal of Mineralogy 16 (2004) 443-449 |
|
Crystal chemistry of Ti3+-Ti4+-bearing synthetic diopsides |
|
Sample: Di64 |
|
_database_code_amcsd 0007068 |
|
9.748 8.926 5.264 90 105.89 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .30176 .25 .916 .0114 |
|
Na2 0 .30176 .25 .066 .0114 |
|
Mg1 0 .90721 .25 .926 .0080 |
|
Ti3+1 0 .90721 .25 .074 .0080 |
|
Si .28657 .09297 .22994 .980 .0068 |
|
B .28657 .09297 .22994 .009 .0068 |
|
Ti4+ .28657 .09297 .22994 .006 .0068 |
|
O1 .11589 .08672 .1426 .0086 |
|
O2 .36110 .25001 .3175 .0105 |
|
O3 .35070 .0171 .9968 .0096 |
|
|
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|
| |
|
Diopside |
|
Nazzareni S, Molin G, Skogby H, Dal Negro A |
| |
European Journal of Mineralogy 16 (2004) 443-449 |
|
Crystal chemistry of Ti3+-Ti4+-bearing synthetic diopsides |
|
Sample: Di80 |
|
_database_code_amcsd 0007069 |
|
9.756 8.929 5.269 90 106.06 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .30201 .25 .820 .0133 |
|
Na2 0 .30201 .25 .168 .0133 |
|
Mg1 0 .90592 .25 .846 .0085 |
|
Ti4+1 0 .90592 .25 .118 .0085 |
|
Ti3+1 0 .90592 .25 .058 .0085 |
|
Si .28730 .09269 .23103 .941 .0077 |
|
Ti4+ .28730 .09269 .23103 .048 .0077 |
|
B .28730 .09269 .23103 .011 .0077 |
|
O1 .1156 .0861 .1422 .0089 |
|
O2 .3610 .2505 .3167 .0116 |
|
O3 .3508 .0160 .9990 .0104 |
|
|
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|
| |
|
Diopside |
|
Nazzareni S, Molin G, Skogby H, Dal Negro A |
| |
European Journal of Mineralogy 16 (2004) 443-449 |
|
Crystal chemistry of Ti3+-Ti4+-bearing synthetic diopsides |
|
Sample: Di81a |
|
_database_code_amcsd 0007070 |
|
9.747 8.922 5.278 90 106.10 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .30170 .25 .872 .0108 |
|
Na2 0 .30170 .25 .118 .0108 |
|
Mg1 0 .90647 .25 .906 .0069 |
|
Ti3+1 0 .90647 .25 .078 .0069 |
|
Ti4+1 0 .90647 .25 .022 .0069 |
|
Si .28686 .09291 .23000 .970 .0060 |
|
Ti4+ .28686 .09291 .23000 .019 .0060 |
|
B .28686 .09291 .23000 .014 .0060 |
|
O1 .11546 .0863 .1420 .0072 |
|
O2 .36119 .2505 .3168 .0096 |
|
O3 .35071 .0168 .9974 .0090 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Diopside |
|
Nazzareni S, Molin G, Skogby H, Dal Negro A |
| |
European Journal of Mineralogy 16 (2004) 443-449 |
|
Crystal chemistry of Ti3+-Ti4+-bearing synthetic diopsides |
|
Sample: Di72 |
|
_database_code_amcsd 0007071 |
|
9.748 8.926 5.281 90 106.09 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .30230 .25 .784 .0152 |
|
Na2 0 .30230 .25 .190 .0152 |
|
Mg1 0 .90563 .25 .850 .0100 |
|
Ti3+1 0 .90563 .25 .104 .0100 |
|
Ti4+1 0 .90563 .25 .086 .0100 |
|
Si .28740 .09251 .23090 .946 .0092 |
|
Ti4+ .28740 .09251 .23090 .032 .0092 |
|
B .28740 .09251 .23090 .022 .0092 |
|
O1 .1159 .0854 .1422 .0108 |
|
O2 .3609 .2509 .3151 .0130 |
|
O3 .3509 .0157 .9992 .0126 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Diopside |
|
Nazzareni S, Molin G, Skogby H, Dal Negro A |
| |
European Journal of Mineralogy 16 (2004) 443-449 |
|
Crystal chemistry of Ti3+-Ti4+-bearing synthetic diopsides |
|
Sample: Di73 |
|
_database_code_amcsd 0007072 |
|
9.765 8.929 5.284 90 106.19 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .30145 .25 .836 .0138 |
|
Na2 0 .30145 .25 .140 .0138 |
|
Mg1 0 .90640 .25 .892 .0097 |
|
Ti3+1 0 .90640 .25 .062 .0097 |
|
Ti4+1 0 .90640 .25 .056 .0097 |
|
Si .28714 .09287 .23021 .944 .0087 |
|
Ti4+ .28714 .09287 .23021 .044 .0087 |
|
B .28714 .09287 .23021 .012 .0087 |
|
O1 .1156 .0867 .1418 .0103 |
|
O2 .3613 .2511 .3173 .0132 |
|
O3 .3510 .0166 .9981 .0127 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Diopside |
|
Nazzareni S, Molin G, Skogby H, Dal Negro A |
| |
European Journal of Mineralogy 16 (2004) 443-449 |
|
Crystal chemistry of Ti3+-Ti4+-bearing synthetic diopsides |
|
Sample: Di73* |
|
_database_code_amcsd 0007073 |
|
9.765 8.929 5.284 90 106.19 90 C2/c |
|
atom x y z occ Uiso |
|
Ca2 0 .30145 .25 .844 .0139 |
|
Na2 0 .30145 .25 .128 .0139 |
|
Mg1 0 .90640 .25 .922 .0095 |
|
Ti3+1 0 .90640 .25 .056 .0095 |
|
Ti4+1 0 .90640 .25 .044 .0095 |
|
Si .28714 .09287 .23022 .944 .0087 |
|
Ti4+ .28714 .09287 .23022 .044 .0087 |
|
B .28714 .09287 .23022 .012 .0087 |
|
O1 .1156 .0867 .1418 .0103 |
|
O2 .3613 .2511 .3173 .0132 |
|
O3 .3511 .0166 .9981 .0127 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Magnesiochromite |
|
Lenaz D, Skogby H, Princivalle F, Halenius U |
| |
Physics and Chemistry of Minerals 31 (2004) 633-642 |
|
Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series |
|
Sample: MgCr5 |
|
_database_code_amcsd 0008903 |
|
8.3329 8.3329 8.3329 90 90 90 *Fd-3m |
|
.125 .125 .125 |
|
atom x y z Uiso |
|
MgA .125 .125 .125 .0039 |
|
CrB .5 .5 .5 .0028 |
|
O .26116 .26116 .26116 .0040 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Magnesiochromite |
|
Lenaz D, Skogby H, Princivalle F, Halenius U |
| |
Physics and Chemistry of Minerals 31 (2004) 633-642 |
|
Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series |
|
Sample: MgCr9A |
|
_database_code_amcsd 0008904 |
|
8.3328 8.3328 8.3328 90 90 90 *Fd-3m |
|
.125 .125 .125 |
|
atom x y z Uiso |
|
MgA .125 .125 .125 .0034 |
|
CrB .5 .5 .5 .0022 |
|
O .26121 .26121 .26121 .0034 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Magnesiochromite |
|
Lenaz D, Skogby H, Princivalle F, Halenius U |
| |
Physics and Chemistry of Minerals 31 (2004) 633-642 |
|
Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series |
|
Sample: Fe2-20 |
|
_database_code_amcsd 0008905 |
|
8.3340 8.3340 8.3340 90 90 90 *Fd-3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgA .125 .125 .125 .984 .0049 |
|
FeA .125 .125 .125 .016 .0049 |
|
CrB .5 .5 .5 .996 .0036 |
|
FeB .5 .5 .5 .004 .0036 |
|
O .26119 .26119 .26119 .0050 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Magnesiochromite |
|
Lenaz D, Skogby H, Princivalle F, Halenius U |
| |
Physics and Chemistry of Minerals 31 (2004) 633-642 |
|
Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series |
|
Sample: Fe2-10 |
|
_database_code_amcsd 0008906 |
|
8.3352 8.3352 8.3352 90 90 90 *Fd-3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgA .125 .125 .125 .932 .0044 |
|
FeA .125 .125 .125 .068 .0044 |
|
CrB .5 .5 .5 .998 .0028 |
|
FeB .5 .5 .5 .002 .0028 |
|
O .26119 .26119 .26119 .0039 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Magnesiochromite |
|
Lenaz D, Skogby H, Princivalle F, Halenius U |
| |
Physics and Chemistry of Minerals 31 (2004) 633-642 |
|
Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series |
|
Sample: Fe2-10B |
|
_database_code_amcsd 0008907 |
|
8.3379 8.3379 8.3379 90 90 90 *Fd-3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgA .125 .125 .125 .87 .0049 |
|
FeA .125 .125 .125 .13 .0049 |
|
CrB .5 .5 .5 .0030 |
|
O .26142 .26142 .26142 .0043 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Magnesiochromite |
|
Lenaz D, Skogby H, Princivalle F, Halenius U |
| |
Physics and Chemistry of Minerals 31 (2004) 633-642 |
|
Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series |
|
Sample: Fe2-30 |
|
_database_code_amcsd 0008908 |
|
8.3415 8.3415 8.3415 90 90 90 *Fd-3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgA .125 .125 .125 .80 .0050 |
|
FeA .125 .125 .125 .20 .0050 |
|
CrB .5 .5 .5 .0031 |
|
O .26150 .26150 .26150 .0042 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Magnesiochromite |
|
Lenaz D, Skogby H, Princivalle F, Halenius U |
| |
Physics and Chemistry of Minerals 31 (2004) 633-642 |
|
Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series |
|
Sample: Fe2-50 |
|
_database_code_amcsd 0008909 |
|
8.3462 8.3462 8.3462 90 90 90 *Fd-3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgA .125 .125 .125 .68 .0057 |
|
FeA .125 .125 .125 .32 .0057 |
|
CrB .5 .5 .5 .0037 |
|
O .26159 .26159 .26159 .0045 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Magnesiochromite |
|
Lenaz D, Skogby H, Princivalle F, Halenius U |
| |
Physics and Chemistry of Minerals 31 (2004) 633-642 |
|
Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series |
|
Sample: Fe2-40 |
|
_database_code_amcsd 0008910 |
|
8.3490 8.3490 8.3490 90 90 90 *Fd-3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgA .125 .125 .125 .67 .0056 |
|
FeA .125 .125 .125 .33 .0056 |
|
CrB .5 .5 .5 .0036 |
|
O .26157 .26157 .26157 .0047 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Magnesiochromite |
|
Lenaz D, Skogby H, Princivalle F, Halenius U |
| |
Physics and Chemistry of Minerals 31 (2004) 633-642 |
|
Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series |
|
Sample: Fe2-20B |
|
_database_code_amcsd 0008911 |
|
8.3465 8.3465 8.3465 90 90 90 *Fd-3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgA .125 .125 .125 .63 .0041 |
|
FeA .125 .125 .125 .37 .0041 |
|
CrB .5 .5 .5 .0023 |
|
O .26164 .26164 .26164 .0036 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Chromite |
|
Lenaz D, Skogby H, Princivalle F, Halenius U |
| |
Physics and Chemistry of Minerals 31 (2004) 633-642 |
|
Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series |
|
Sample: Fe2-45 |
|
_database_code_amcsd 0008912 |
|
8.3577 8.3577 8.3577 90 90 90 *Fd-3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
FeA .125 .125 .125 .60 .0056 |
|
MgA .125 .125 .125 .40 .0056 |
|
CrB .5 .5 .5 .0032 |
|
O .26192 .26192 .26192 .0043 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Chromite |
|
Lenaz D, Skogby H, Princivalle F, Halenius U |
| |
Physics and Chemistry of Minerals 31 (2004) 633-642 |
|
Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series |
|
Sample: Fe2-60 |
|
_database_code_amcsd 0008913 |
|
8.3620 8.3620 8.3620 90 90 90 *Fd-3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
FeA .125 .125 .125 .65 .0056 |
|
MgA .125 .125 .125 .35 .0056 |
|
CrB .5 .5 .5 .0032 |
|
O .26207 .26207 .26207 .0043 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Chromite |
|
Lenaz D, Skogby H, Princivalle F, Halenius U |
| |
Physics and Chemistry of Minerals 31 (2004) 633-642 |
|
Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series |
|
Sample: Fe2-55 |
|
_database_code_amcsd 0008914 |
|
8.3613 8.3613 8.3613 90 90 90 *Fd-3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
FeA .125 .125 .125 .67 .0060 |
|
MgA .125 .125 .125 .33 .0060 |
|
CrB .5 .5 .5 .0036 |
|
O .26219 .26219 .26219 .0046 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Chromite |
|
Lenaz D, Skogby H, Princivalle F, Halenius U |
| |
Physics and Chemistry of Minerals 31 (2004) 633-642 |
|
Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series |
|
Sample: Fe2-70 |
|
_database_code_amcsd 0008915 |
|
8.3672 8.3672 8.3672 90 90 90 *Fd-3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
FeA .125 .125 .125 .76 .0066 |
|
MgA .125 .125 .125 .24 .0066 |
|
CrB .5 .5 .5 .0036 |
|
O .26224 .26224 .26224 .0047 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Chromite |
|
Lenaz D, Skogby H, Princivalle F, Halenius U |
| |
Physics and Chemistry of Minerals 31 (2004) 633-642 |
|
Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series |
|
Sample: Fe2-80 |
|
_database_code_amcsd 0008916 |
|
8.3710 8.3710 8.3710 90 90 90 *Fd-3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
FeA .125 .125 .125 .87 .0069 |
|
MgA .125 .125 .125 .13 .0069 |
|
CrB .5 .5 .5 .0038 |
|
O .26256 .26256 .26256 .0047 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Chromite |
|
Lenaz D, Skogby H, Princivalle F, Halenius U |
| |
Physics and Chemistry of Minerals 31 (2004) 633-642 |
|
Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series |
|
Sample: Fe2-90 |
|
_database_code_amcsd 0008917 |
|
8.3739 8.3739 8.3739 90 90 90 *Fd-3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
FeA .125 .125 .125 .91 .0055 |
|
MgA .125 .125 .125 .09 .0055 |
|
CrB .5 .5 .5 .0029 |
|
O .26271 .26271 .26271 .0040 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Chromite |
|
Lenaz D, Skogby H, Princivalle F, Halenius U |
| |
Physics and Chemistry of Minerals 31 (2004) 633-642 |
|
Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution series |
|
Sample: Fe2- |
|
_database_code_amcsd 0008918 |
|
8.3765 8.3765 8.3765 90 90 90 *Fd-3m |
|
.125 .125 .125 |
|
atom x y z Uiso |
|
FeA .125 .125 .125 .0061 |
|
CrB .5 .5 .5 .0034 |
|
O .26265 .26265 .26265 .0043 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Tsilaisite |
| |
Bosi F, Skogby H, Agrosė G, Scandale E |
| |
American Mineralogist 97 (2012) 989-994 |
|
Tsilaisite, NaMn3Al6(Si6O18)(BO3)3(OH)3OH, a new mineral species of the tourmaline |
|
supergroup from Grotta d'Oggi, San Pietro in Campo, island of Elba, Italy |
|
Note: this dataset represents the standard tourmaline model |
|
Locality: Grotta d'Oggi, San Pietro in Campo, island of Elba, Italy |
|
_database_code_amcsd 0018865 |
|
15.9461 15.9461 7.1380 90 90 120 R3m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
NaX 0 0 .2286 .67 .0269 .0299 .0299 .0209 .0149 0 0 |
|
CaX 0 0 .2286 .02 .0269 .0299 .0299 .0209 .0149 0 0 |
|
KX 0 0 .2286 .01 .0269 .0299 .0299 .0209 .0149 0 0 |
|
Mn2Y .12399 .061995 .62408 .447 .01130 .0108 .00802 .0160 .00540 -.00255 -.00127 |
|
AlY .12399 .061995 .62408 .380 .01130 .0108 .00802 .0160 .00540 -.00255 -.00127 |
|
LiY .12399 .061995 .62408 .180 .01130 .0108 .00802 .0160 .00540 -.00255 -.00127 |
|
TiY .12399 .061995 .62408 .013 .01130 .0108 .00802 .0160 .00540 -.00255 -.00127 |
|
AlZ .29803 .26129 .61115 .00602 .00627 .00725 .00470 .00351 -.00009 .00054 |
|
SiT .19190 .18997 0 .99 .00479 .00498 .00475 .00456 .00238 -.00002 -.00035 |
|
BT .19190 .18997 0 .01 .00479 .00498 .00475 .00456 .00238 -.00002 -.00035 |
|
B .10993 .21986 .4543 .0067 .0072 .0059 .0065 .0029 .0002 .0003 |
|
O1 0 0 .7794 .20 .0443 .064 .064 .0050 .0320 0 0 |
|
OH1 0 0 .7794 .39 .0443 .064 .064 .0050 .0320 0 0 |
|
F1 0 0 .7794 .41 .0443 .064 .064 .0050 .0320 0 0 |
|
O2 .06139 .12277 .4818 .0197 .0305 .0060 .0144 .0030 .0003 .0005 |
|
O3 .26843 .13422 .5100 .0115 .0237 .0104 .0047 .0119 -.0006 -.0003 |
|
H3 .259 .1297 .401 .017 |
|
O4 .09351 .18702 .0701 .0085 .0069 .0125 .0079 .0063 -.0007 -.0013 |
|
O5 .18698 .09349 .0917 .0084 .0142 .0066 .0071 .0071 .0018 .0009 |
|
O6 .19732 .18723 .77527 .00785 .0088 .0095 .0043 .0038 .0007 -.0004 |
|
O7 .28539 .28583 .08002 .00625 .0061 .0053 .0052 .0013 .0005 -.0006 |
|
O8 .21011 .27092 .44140 .00796 .0064 .0116 .0073 .0055 .0005 .0027 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Tsilaisite |
| |
Bosi F, Skogby H, Agrosė G, Scandale E |
| |
American Mineralogist 97 (2012) 989-994 |
|
Tsilaisite, NaMn3Al6(Si6O18)(BO3)3(OH)3OH, a new mineral species of the tourmaline |
|
supergroup from Grotta d'Oggi, San Pietro in Campo, island of Elba, Italy |
|
Note: this dataset represents the split atom model |
|
Locality: Grotta d'Oggi, San Pietro in Campo, island of Elba, Italy |
|
_database_code_amcsd 0018866 |
|
15.9461 15.9461 7.1380 90 90 120 R3m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
NaX 0 0 .2290 .754 .0261 .0287 .0287 .0208 .0143 0 0 |
|
MnY .12400 .062000 .62407 .616 .01141 .0108 .00807 .0162 .00542 -.00265 -.00132 |
|
LiY .12400 .062000 .62407 .384 .01141 .0108 .00807 .0162 .00542 -.00265 -.00132 |
|
AlZ .29801 .26127 .61120 1.017 .00598 .00629 .00722 .00460 .00351 -.00009 .00057 |
|
B .10999 .21998 .4543 .0070 .0074 .0071 .0063 .0035 .0001 .0002 |
|
Si .19191 .18997 0 .00470 .00482 .00467 .00456 .00234 .00001 -.00041 |
|
O1 .0209 .01044 .7796 .3333 .0078 |
|
O2 .07115 .12293 .4819 .50 .0101 |
|
O3 .26862 .13431 .5100 .0114 .0235 .0105 .0044 .0118 -.0005 -.0003 |
|
H3 .256 .1280 .409 .017 |
|
O4 .09348 .18696 .07006 .0082 .0068 .0116 .0078 .0058 -.0006 -.0013 |
|
O5 .18697 .09349 .09176 .0083 .0145 .0064 .0067 .0072 .0014 .0007 |
|
O6 .19727 .18721 .77531 .00786 .0087 .0096 .0041 .0037 .0004 -.0007 |
|
O7 .28533 .28581 .08008 .00617 .0058 .0054 .0053 .0013 .0005 -.0006 |
|
O8 .21009 .27095 .44150 .00779 .0063 .0115 .0069 .0055 .0006 .0027 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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