American Mineralogist Crystal Structure Database

165 matching records for this search.

Spinel
Download hom/spinel.pdf
Andreozzi G B, Princivalle F, Skogby H, Della Giusta A
Download am/vol85/AM85_1164.pdf
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
8.0844 8.0844 8.0844 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
Al       .5     .5     .5  .990 .0042
Mg     .125   .125   .125 1.024 .0043
O    .26223 .26223 .26223       .0072
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Spinel
Download hom/spinel.pdf
Andreozzi G B, Princivalle F, Skogby H, Della Giusta A
Download am/vol85/AM85_1164.pdf
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
_database_code_amcsd 0002478
8.0845 8.0845 8.0845 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
Al       .5     .5     .5  .989 .0042
Mg     .125   .125   .125 1.026 .0045
O    .26222 .26222 .26222       .0075
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Spinel
Download hom/spinel.pdf
Andreozzi G B, Princivalle F, Skogby H, Della Giusta A
Download am/vol85/AM85_1164.pdf
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
8.0841 8.0841 8.0841 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
Al       .5     .5     .5  .986 .0042
Mg     .125   .125   .125 1.032 .0046
O    .26212 .26212 .26212       .0077
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Spinel
Download hom/spinel.pdf
Andreozzi G B, Princivalle F, Skogby H, Della Giusta A
Download am/vol85/AM85_1164.pdf
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
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Spinel
Download hom/spinel.pdf
Andreozzi G B, Princivalle F, Skogby H, Della Giusta A
Download am/vol85/AM85_1164.pdf
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
8.0838 8.0838 8.0838 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
Al       .5     .5     .5  .986 .0040
Mg     .125   .125   .125 1.030 .0042
O    .26183 .26183 .26183       .0078
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Spinel
Download hom/spinel.pdf
Andreozzi G B, Princivalle F, Skogby H, Della Giusta A
Download am/vol85/AM85_1164.pdf
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Spinel
Download hom/spinel.pdf
Andreozzi G B, Princivalle F, Skogby H, Della Giusta A
Download am/vol85/AM85_1164.pdf
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
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 (permalink)
 
Spinel
Download hom/spinel.pdf
Andreozzi G B, Princivalle F, Skogby H, Della Giusta A
Download am/vol85/AM85_1164.pdf
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 (permalink)
 
Spinel
Download hom/spinel.pdf
Andreozzi G B, Princivalle F, Skogby H, Della Giusta A
Download am/vol85/AM85_1164.pdf
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
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
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 (permalink)
 
Spinel
Download hom/spinel.pdf
Andreozzi G B, Princivalle F, Skogby H, Della Giusta A
Download am/vol85/AM85_1164.pdf
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
.125 .125 .125
atom      x      y      z   occ  Uiso
Al       .5     .5     .5  .992 .0038
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 (permalink)
 
Spinel
Download hom/spinel.pdf
Andreozzi G B, Princivalle F, Skogby H, Della Giusta A
Download am/vol85/AM85_1164.pdf
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
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 (permalink)
 
Spinel
Download hom/spinel.pdf
Andreozzi G B, Princivalle F, Skogby H, Della Giusta A
Download am/vol85/AM85_1164.pdf
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
Mg     .125   .125   .125 1.003  .0043  .0043  .0043      0      0      0
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 (permalink)
 
Spinel
Download hom/spinel.pdf
Andreozzi G B, Princivalle F, Skogby H, Della Giusta A
Download am/vol85/AM85_1164.pdf
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
Mg     .125   .125   .125 1.035  .0042  .0042  .0042      0      0      0
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 (permalink)
 
Spinel
Download hom/spinel.pdf
Andreozzi G B, Princivalle F, Skogby H, Della Giusta A
Download am/vol85/AM85_1164.pdf
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
Mg     .125   .125   .125 1.030  .0042  .0042  .0042      0      0      0
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 (permalink)
 
Spinel
Download hom/spinel.pdf
Andreozzi G B, Princivalle F, Skogby H, Della Giusta A
Download am/vol85/AM85_1164.pdf
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 (permalink)
 
Spinel
Download hom/spinel.pdf
Andreozzi G B, Princivalle F
Download am/vol87/AM87_838.pdf
American Mineralogist 87 (2002) 838-844
Kinetics of cation ordering in synthetic MgAl2O4 spinel
Sample: annealed at 1000 deg C for 12h
_database_code_amcsd 0002823
8.0832 8.0832 8.0832 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
Mg     .125   .125   .125 .728 .0044
Al     .125   .125   .125 .272 .0044
Al       .5     .5     .5 .864 .0044
Mg       .5     .5     .5 .136 .0044
O    .26171 .26171 .26171      .0081
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Spinel
Download hom/spinel.pdf
Andreozzi G B, Princivalle F
Download am/vol87/AM87_838.pdf
American Mineralogist 87 (2002) 838-844
Kinetics of cation ordering in synthetic MgAl2O4 spinel
Sample: annealed at 1000 deg C for 12h, then isothermally ordered at 900 deg C for .17 min
_database_code_amcsd 0002824
8.0832 8.0832 8.0832 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
Mg     .125   .125   .125 .725 .0038
Al     .125   .125   .125 .275 .0038
Al       .5     .5     .5 .862 .0038
Mg       .5     .5     .5 .138 .0038
O    .26167 .26167 .26167      .0077
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Spinel
Download hom/spinel.pdf
Andreozzi G B, Princivalle F
Download am/vol87/AM87_838.pdf
American Mineralogist 87 (2002) 838-844
Kinetics of cation ordering in synthetic MgAl2O4 spinel
Sample: annealed at 1000 deg C for 12h, then isothermally ordered at 900 deg C for .5 min
_database_code_amcsd 0002825
8.0835 8.0835 8.0835 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
Mg     .125   .125   .125 .729 .0046
Al     .125   .125   .125 .271 .0046
Al       .5     .5     .5 .864 .0044
Mg       .5     .5     .5 .136 .0044
O    .26172 .26172 .26172      .0083
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Spinel
Download hom/spinel.pdf
Andreozzi G B, Princivalle F
Download am/vol87/AM87_838.pdf
American Mineralogist 87 (2002) 838-844
Kinetics of cation ordering in synthetic MgAl2O4 spinel
Sample: annealed at 1000 deg C for 12h, then isothermally ordered at 900 deg C for 1 min
_database_code_amcsd 0002826
8.0835 8.0835 8.0835 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
Mg     .125   .125   .125 .740 .0043
Al     .125   .125   .125 .260 .0043
Al       .5     .5     .5 .870 .0039
Mg       .5     .5     .5 .130 .0039
O    .26186 .26186 .26186      .0077
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Spinel
Download hom/spinel.pdf
Andreozzi G B, Princivalle F
Download am/vol87/AM87_838.pdf
American Mineralogist 87 (2002) 838-844
Kinetics of cation ordering in synthetic MgAl2O4 spinel
Sample: annealed at 1000 deg C for 12h, then isothermally ordered at 900 deg C for 2 min
_database_code_amcsd 0002827
8.0836 8.0836 8.0836 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
Mg     .125   .125   .125 .740 .0040
Al     .125   .125   .125 .260 .0040
Al       .5     .5     .5 .870 .0041
Mg       .5     .5     .5 .130 .0041
O    .26186 .26186 .26186      .0076
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Spinel
Download hom/spinel.pdf
Andreozzi G B, Princivalle F
Download am/vol87/AM87_838.pdf
American Mineralogist 87 (2002) 838-844
Kinetics of cation ordering in synthetic MgAl2O4 spinel
Sample: annealed at 1000 deg C for 12h, then isothermally ordered at 900 deg C for 5 min
_database_code_amcsd 0002828
8.0838 8.0838 8.0838 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ
Mg     .125   .125   .125 .744
Al     .125   .125   .125 .256
Al       .5     .5     .5 .872
Mg       .5     .5     .5 .128
O    .26191 .26191 .26191
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Spinel
Download hom/spinel.pdf
Andreozzi G B, Princivalle F
Download am/vol87/AM87_838.pdf
American Mineralogist 87 (2002) 838-844
Kinetics of cation ordering in synthetic MgAl2O4 spinel
Sample: annealed at 1000 deg C for 12h, then isothermally ordered at 900 deg C for 60 min
_database_code_amcsd 0002829
8.0837 8.0837 8.0837 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
Mg     .125   .125   .125 .745 .0038
Al     .125   .125   .125 .255 .0038
Al       .5     .5     .5 .872 .0038
Mg       .5     .5     .5 .128 .0038
O    .26192 .26192 .26192      .0074
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Spinel
Download hom/spinel.pdf
Andreozzi G B, Princivalle F
Download am/vol87/AM87_838.pdf
American Mineralogist 87 (2002) 838-844
Kinetics of cation ordering in synthetic MgAl2O4 spinel
Sample: annealed at 1000 deg C for 12h, then isothermally ordered at 900 deg C for 4320 min
_database_code_amcsd 0002830
8.0838 8.0838 8.0838 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
Mg     .125   .125   .125 .746 .0045
Al     .125   .125   .125 .254 .0045
Al       .5     .5     .5 .873 .0042
Mg       .5     .5     .5 .127 .0042
O    .26193 .26193 .26193      .0078
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Spinel
Download hom/spinel.pdf
Andreozzi G B, Princivalle F
Download am/vol87/AM87_838.pdf
American Mineralogist 87 (2002) 838-844
Kinetics of cation ordering in synthetic MgAl2O4 spinel
Sample: annealed at 1000 deg C for 12h
_database_code_amcsd 0002831
8.0835 8.0835 8.0835 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
Mg     .125   .125   .125 .728 .0044
Al     .125   .125   .125 .272 .0044
Al       .5     .5     .5 .864 .0041
Mg       .5     .5     .5 .136 .0041
O    .26171 .26171 .26171      .0080
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Spinel
Download hom/spinel.pdf
Andreozzi G B, Princivalle F
Download am/vol87/AM87_838.pdf
American Mineralogist 87 (2002) 838-844
Kinetics of cation ordering in synthetic MgAl2O4 spinel
Sample: annealed at 1000 deg C for 12h, then isothermally ordered at 800 deg C for 2 min
_database_code_amcsd 0002832
8.0834 8.0834 8.0834 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
Mg     .125   .125   .125 .733 .0043
Al     .125   .125   .125 .267 .0043
Al       .5     .5     .5 .866 .0041
Mg       .5     .5     .5 .134 .0041
O    .26178 .26178 .26178      .0078
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Spinel
Download hom/spinel.pdf
Andreozzi G B, Princivalle F
Download am/vol87/AM87_838.pdf
American Mineralogist 87 (2002) 838-844
Kinetics of cation ordering in synthetic MgAl2O4 spinel
Sample: annealed at 1000 deg C for 12h, then isothermally ordered at 800 deg C for 5 min
_database_code_amcsd 0002833
8.0836 8.0836 8.0836 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
Mg     .125   .125   .125 .736 .0043
Al     .125   .125   .125 .264 .0043
Al       .5     .5     .5 .868 .0042
Mg       .5     .5     .5 .132 .0042
O    .26181 .26181 .26181      .0072
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Spinel
Download hom/spinel.pdf
Andreozzi G B, Princivalle F
Download am/vol87/AM87_838.pdf
American Mineralogist 87 (2002) 838-844
Kinetics of cation ordering in synthetic MgAl2O4 spinel
Sample: annealed at 1000 deg C for 12h, then isothermally ordered at 800 deg C for 10 min
_database_code_amcsd 0002834
8.0840 8.0840 8.0840 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
Mg     .125   .125   .125 .750 .0042
Al     .125   .125   .125 .250 .0042
Al       .5     .5     .5 .875 .0039
Mg       .5     .5     .5 .125 .0039
O    .26198 .26198 .26198      .0075
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Spinel
Download hom/spinel.pdf
Andreozzi G B, Princivalle F
Download am/vol87/AM87_838.pdf
American Mineralogist 87 (2002) 838-844
Kinetics of cation ordering in synthetic MgAl2O4 spinel
Sample: annealed at 1000 deg C for 12h, then isothermally ordered at 800 deg C for 20 min
_database_code_amcsd 0002835
8.0843 8.0843 8.0843 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
Mg     .125   .125   .125 .755 .0042
Al     .125   .125   .125 .245 .0042
Al       .5     .5     .5 .878 .0038
Mg       .5     .5     .5 .122 .0038
O    .26205 .26205 .26205      .0073
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Spinel
Download hom/spinel.pdf
Andreozzi G B, Princivalle F
Download am/vol87/AM87_838.pdf
American Mineralogist 87 (2002) 838-844
Kinetics of cation ordering in synthetic MgAl2O4 spinel
Sample: annealed at 1000 deg C for 12h, then isothermally ordered at 800 deg C for 40 min
_database_code_amcsd 0002836
8.0844 8.0844 8.0844 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
Mg     .125   .125   .125 .767 .0042
Al     .125   .125   .125 .233 .0042
Al       .5     .5     .5 .884 .0039
Mg       .5     .5     .5 .116 .0039
O    .26220 .26220 .26220      .0072
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Spinel
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Andreozzi G B, Princivalle F
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American Mineralogist 87 (2002) 838-844
Kinetics of cation ordering in synthetic MgAl2O4 spinel
Sample: annealed at 1000 deg C for 12h, then isothermally ordered at 800 deg C for 150 min
_database_code_amcsd 0002837
8.0846 8.0846 8.0846 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
Mg     .125   .125   .125 .768 .0042
Al     .125   .125   .125 .232 .0042
Al       .5     .5     .5 .884 .0038
Mg       .5     .5     .5 .116 .0038
O    .26221 .26221 .26221      .0072
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Spinel
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Andreozzi G B, Princivalle F
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American Mineralogist 87 (2002) 838-844
Kinetics of cation ordering in synthetic MgAl2O4 spinel
Sample: annealed at 1000 deg C for 12h, then isothermally ordered at 800 deg C for 1440 min
_database_code_amcsd 0002838
8.0845 8.0845 8.0845 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
Mg     .125   .125   .125 .769 .0043
Al     .125   .125   .125 .231 .0043
Al       .5     .5     .5 .884 .0042
Mg       .5     .5     .5 .116 .0042
O    .26222 .26222 .26222      .0072
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Spinel
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Andreozzi G B, Princivalle F
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American Mineralogist 87 (2002) 838-844
Kinetics of cation ordering in synthetic MgAl2O4 spinel
Sample: annealed at 1000 deg C for 12h, then isothermally ordered at 800 deg C for 10080 min
_database_code_amcsd 0002839
8.0846 8.0846 8.0846 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
Mg     .125   .125   .125 .770 .0043
Al     .125   .125   .125 .230 .0043
Al       .5     .5     .5 .885 .0042
Mg       .5     .5     .5 .115 .0042
O    .26223 .26223 .26223      .0072
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Spinel
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Andreozzi G B, Princivalle F
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American Mineralogist 87 (2002) 838-844
Kinetics of cation ordering in synthetic MgAl2O4 spinel
Sample: annealed at 1000 deg C for 12h
_database_code_amcsd 0002840
8.0832 8.0832 8.0832 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
Mg     .125   .125   .125 .728 .0044
Al     .125   .125   .125 .272 .0044
Al       .5     .5     .5 .864 .0044
Mg       .5     .5     .5 .136 .0044
O    .26171 .26171 .26171      .0081
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Spinel
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Andreozzi G B, Princivalle F
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American Mineralogist 87 (2002) 838-844
Kinetics of cation ordering in synthetic MgAl2O4 spinel
Sample: annealed at 1000 deg C for 12h, then isothermally ordered at 700 deg C for 10 min
_database_code_amcsd 0002841
8.0831 8.0831 8.0831 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
Mg     .125   .125   .125 .729 .0044
Al     .125   .125   .125 .271 .0044
Al       .5     .5     .5 .864 .0044
Mg       .5     .5     .5 .136 .0044
O    .26173 .26173 .26173      .0081
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Spinel
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Andreozzi G B, Princivalle F
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American Mineralogist 87 (2002) 838-844
Kinetics of cation ordering in synthetic MgAl2O4 spinel
Sample: annealed at 1000 deg C for 12h, then isothermally ordered at 700 deg C for 60 min
_database_code_amcsd 0002842
8.0838 8.0838 8.0838 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
Mg     .125   .125   .125 .753 .0043
Al     .125   .125   .125 .247 .0043
Al       .5     .5     .5 .876 .0042
Mg       .5     .5     .5 .124 .0042
O    .26202 .26202 .26202      .0075
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Spinel
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Andreozzi G B, Princivalle F
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American Mineralogist 87 (2002) 838-844
Kinetics of cation ordering in synthetic MgAl2O4 spinel
Sample: annealed at 1000 deg C for 12h, then isothermally ordered at 700 deg C for 120 min
_database_code_amcsd 0002843
8.0840 8.0840 8.0840 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
Mg     .125   .125   .125 .762 .0040
Al     .125   .125   .125 .238 .0040
Al       .5     .5     .5 .881 .0038
Mg       .5     .5     .5 .119 .0038
O    .26214 .26214 .26214      .0071
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Spinel
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Andreozzi G B, Princivalle F
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American Mineralogist 87 (2002) 838-844
Kinetics of cation ordering in synthetic MgAl2O4 spinel
Sample: annealed at 1000 deg C for 12h, then isothermally ordered at 700 deg C for 500 min
_database_code_amcsd 0002844
8.0848 8.0848 8.0848 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
Mg     .125   .125   .125 .787 .0042
Al     .125   .125   .125 .213 .0042
Al       .5     .5     .5 .894 .0042
Mg       .5     .5     .5 .106 .0042
O    .26244 .26244 .26244      .0069
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Spinel
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Andreozzi G B, Princivalle F
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American Mineralogist 87 (2002) 838-844
Kinetics of cation ordering in synthetic MgAl2O4 spinel
Sample: annealed at 1000 deg C for 12h, then isothermally ordered at 700 deg C for 1000 min
_database_code_amcsd 0002845
8.0847 8.0847 8.0847 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
Mg     .125   .125   .125 .787 .0045
Al     .125   .125   .125 .213 .0045
Al       .5     .5     .5 .894 .0044
Mg       .5     .5     .5 .106 .0044
O    .26245 .26245 .26245      .0070
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Spinel
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Andreozzi G B, Princivalle F
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American Mineralogist 87 (2002) 838-844
Kinetics of cation ordering in synthetic MgAl2O4 spinel
Sample: annealed at 1000 deg C for 12h, then isothermally ordered at 700 deg C for 5000 min
_database_code_amcsd 0002846
8.0848 8.0848 8.0848 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
Mg     .125   .125   .125 .790 .0038
Al     .125   .125   .125 .210 .0038
Al       .5     .5     .5 .895 .0037
Mg       .5     .5     .5 .105 .0037
O    .26248 .26248 .26248      .0064
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Spinel
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Andreozzi G B, Princivalle F
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American Mineralogist 87 (2002) 838-844
Kinetics of cation ordering in synthetic MgAl2O4 spinel
Sample: annealed at 1000 deg C for 12h, then isothermally ordered at 700 deg C for 57600 min
_database_code_amcsd 0002847
8.0850 8.0850 8.0850 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
Mg     .125   .125   .125 .792 .0041
Al     .125   .125   .125 .208 .0041
Al       .5     .5     .5 .896 .0038
Mg       .5     .5     .5 .104 .0038
O    .26251 .26251 .26251      .0065
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Spinel
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Andreozzi G B, Lucchesi S
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American Mineralogist 87 (2002) 1113-1120
Intersite distribution of Fe2+ and Mg in the spinel (sensu stricto) -
hercynite series by single-crystal X-ray diffraction
Sample: SP3/10a
_database_code_amcsd 0002872
8.0855 8.0855 8.0855 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 .882  .0043  .0043  .0043  .0000  .0000  .0000
Mg       .5     .5     .5 .118  .0043  .0043  .0043  .0000  .0000  .0000
Mg     .125   .125   .125 .765  .0042  .0042  .0042      0      0      0
Al     .125   .125   .125 .235  .0042  .0042  .0042      0      0      0
O    .26213 .26213 .26213       .0075  .0075  .0075  .0000  .0000  .0000
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Hercynite
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Andreozzi G B, Lucchesi S
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American Mineralogist 87 (2002) 1113-1120
Intersite distribution of Fe2+ and Mg in the spinel (sensu stricto) -
hercynite series by single-crystal X-ray diffraction
Sample: He2f/e
_database_code_amcsd 0002873
8.0895 8.0895 8.0895 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 .880  .0044  .0044  .0044  .0000  .0000  .0000
Mg       .5     .5     .5 .120  .0044  .0044  .0044  .0000  .0000  .0000
Mg     .125   .125   .125 .715  .0046  .0046  .0046      0      0      0
Al     .125   .125   .125 .239  .0046  .0046  .0046      0      0      0
Fe     .125   .125   .125 .046  .0046  .0046  .0046      0      0      0
O    .26218 .26218 .26218       .0079  .0079  .0079  .0000  .0000  .0000
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Hercynite
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Andreozzi G B, Lucchesi S
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American Mineralogist 87 (2002) 1113-1120
Intersite distribution of Fe2+ and Mg in the spinel (sensu stricto) -
hercynite series by single-crystal X-ray diffraction
Sample: He3a/b
_database_code_amcsd 0002874
8.0937 8.0937 8.0937 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 .875  .0041  .0041  .0041  .0000  .0000  .0000
Mg       .5     .5     .5 .125  .0041  .0041  .0041  .0000  .0000  .0000
Mg     .125   .125   .125 .640  .0052  .0052  .0052      0      0      0
Al     .125   .125   .125 .249  .0052  .0052  .0052      0      0      0
Fe     .125   .125   .125 .111  .0052  .0052  .0052      0      0      0
O    .26215 .26215 .26215       .0075  .0075  .0075  .0000  .0000  .0000
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Hercynite
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Andreozzi G B, Lucchesi S
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American Mineralogist 87 (2002) 1113-1120
Intersite distribution of Fe2+ and Mg in the spinel (sensu stricto) -
hercynite series by single-crystal X-ray diffraction
Sample: He4a/c
_database_code_amcsd 0002875
8.1006 8.1006 8.1006 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 .883  .0046  .0046  .0046  .0000  .0000  .0000
Mg       .5     .5     .5 .114  .0046  .0046  .0046  .0000  .0000  .0000
Fe       .5     .5     .5 .003  .0046  .0046  .0046  .0000  .0000  .0000
Mg     .125   .125   .125 .588  .0057  .0057 .0057      0      0      0
Al     .125   .125   .125 .224  .0057  .0057 .0057      0      0      0
Fe     .125   .125   .125 .188  .0057  .0057 .0057      0      0      0
O    .26258 .26258 .26258       .0083  .0083  .0083  .0000  .0000  .0000
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Hercynite
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Andreozzi G B, Lucchesi S
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American Mineralogist 87 (2002) 1113-1120
Intersite distribution of Fe2+ and Mg in the spinel (sensu stricto) -
hercynite series by single-crystal X-ray diffraction
Sample: He4b/d
_database_code_amcsd 0002876
8.1071 8.1071 8.1071 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 .884  .0044  .0044  .0044  .0000  .0000  .0000
Mg       .5     .5     .5 .106  .0044  .0044  .0044  .0000  .0000  .0000
Fe       .5     .5     .5 .010  .0044  .0044  .0044  .0000  .0000  .0000
Mg     .125   .125   .125 .514  .0054  .0054  .0054      0      0      0
Al     .125   .125   .125 .214  .0054  .0054  .0054      0      0      0
Fe     .125   .125   .125 .272  .0054  .0054  .0054      0      0      0
O    .26278 .26278 .26278       .0080  .0080  .0080  .0000  .0000  .0000
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Hercynite
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Andreozzi G B, Lucchesi S
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American Mineralogist 87 (2002) 1113-1120
Intersite distribution of Fe2+ and Mg in the spinel (sensu stricto) -
hercynite series by single-crystal X-ray diffraction
Sample: He5a/a
_database_code_amcsd 0002877
8.1134 8.1134 8.1134 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 .881  .0058  .0058  .0058  .0000  .0000  .0000
Mg       .5     .5     .5 .107  .0058  .0058  .0058  .0000  .0000  .0000
Fe       .5     .5     .5 .012  .0058  .0058  .0058  .0000  .0000  .0000
Mg     .125   .125   .125 .434  .0073  .0042  .0042      0      0      0
Al     .125   .125   .125 .219  .0073  .0042  .0042      0      0      0
Fe     .125   .125   .125 .347  .0073  .0042  .0042      0      0      0
O    .26280 .26280 .26280       .0098  .0098  .0098  .0000  .0000  .0000
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Hercynite
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Andreozzi G B, Lucchesi S
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American Mineralogist 87 (2002) 1113-1120
Intersite distribution of Fe2+ and Mg in the spinel (sensu stricto) -
hercynite series by single-crystal X-ray diffraction
Sample: He6a/e
_database_code_amcsd 0002878
8.1221 8.1221 8.1221 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 .884  .0044  .0044  .0044  .0000  .0000  .0000
Mg       .5     .5     .5 .089  .0044  .0044  .0044  .0000  .0000  .0000
Fe       .5     .5     .5 .027  .0044  .0044  .0044  .0000  .0000  .0000
Mg     .125   .125   .125 .366  .0061  .0061  .0061      0      0      0
Al     .125   .125   .125 .194  .0061  .0061  .0061      0      0      0
Fe     .125   .125   .125 .440  .0061  .0061  .0061      0      0      0
O    .26308 .26308 .26308       .0084  .0084  .0084  .0000  .0000  .0000
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Hercynite
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Andreozzi G B, Lucchesi S
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American Mineralogist 87 (2002) 1113-1120
Intersite distribution of Fe2+ and Mg in the spinel (sensu stricto) -
hercynite series by single-crystal X-ray diffraction
Sample: He7a/b
Note: Coordinates of oxygen changed in order to match the bond lengths.
_database_code_amcsd 0002879
8.1306 8.1306 8.1306 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 .886  .0056  .0056  .0056  .0000  .0000  .0000
Mg       .5     .5     .5 .076  .0056  .0056  .0056  .0000  .0000  .0000
Fe       .5     .5     .5 .038  .0056  .0056  .0056  .0000  .0000  .0000
Mg     .125   .125   .125 .267  .0076  .0076  .0076      0      0      0
Al     .125   .125   .125 .192  .0076  .0076  .0076      0      0      0
Fe     .125   .125   .125 .541  .0076  .0076  .0076      0      0      0
O    .26326 .26326 .26326       .0099  .0099  .0099  .0000  .0000  .0000
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Hercynite
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Andreozzi G B, Lucchesi S
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American Mineralogist 87 (2002) 1113-1120
Intersite distribution of Fe2+ and Mg in the spinel (sensu stricto) -
hercynite series by single-crystal X-ray diffraction
Sample: He8a/h
_database_code_amcsd 0002880
8.1406 8.1406 8.1406 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 .885  .0042  .0042  .0042  .0000  .0000  .0000
Mg       .5     .5     .5 .059  .0042  .0042  .0042  .0000  .0000  .0000
Fe       .5     .5     .5 .056  .0042  .0042  .0042  .0000  .0000  .0000
Mg     .125   .125   .125 .185  .0065  .0065  .0065      0      0      0
Al     .125   .125   .125 .168  .0065  .0065  .0065      0      0      0
Fe     .125   .125   .125 .647  .0065  .0065  .0065      0      0      0
O    .26362 .26362 .26362       .0087  .0087  .0087  .0000  .0000  .0000
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Hercynite
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Andreozzi G B, Lucchesi S
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American Mineralogist 87 (2002) 1113-1120
Intersite distribution of Fe2+ and Mg in the spinel (sensu stricto) -
hercynite series by single-crystal X-ray diffraction
Sample: He9a/h
_database_code_amcsd 0002881
8.1494 8.1494 8.1494 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 .887  .0051  .0051  .0051  .0000  .0000  .0000
Mg       .5     .5     .5 .038  .0051  .0051  .0051  .0000  .0000  .0000
Fe       .5     .5     .5 .075  .0051  .0051  .0051  .0000  .0000  .0000
Mg     .125   .125   .125 .101  .0076  .0076  .0076      0      0      0
Al     .125   .125   .125 .152  .0076  .0076  .0076      0      0      0
Fe     .125   .125   .125 .747  .0076  .0076  .0076      0      0      0
O    .26377 .26377 .26377       .0097  .0097  .0097  .0000  .0000  .0000
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Hercynite
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Andreozzi G B, Lucchesi S
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American Mineralogist 87 (2002) 1113-1120
Intersite distribution of Fe2+ and Mg in the spinel (sensu stricto) -
hercynite series by single-crystal X-ray diffraction
Sample: He100c/a
_database_code_amcsd 0002882
8.1646 8.1646 8.1646 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 .882  .0050  .0050  .0050  .0000  .0000  .0000
Fe       .5     .5     .5 .118  .0050  .0050  .0050  .0000  .0000  .0000
Al     .125   .125   .125 .133  .0078  .0078  .0078      0      0      0
Fe     .125   .125   .125 .867  .0078  .0078  .0078      0      0      0
O    .26416 .26416 .26416       .0075  .0075  .0075  .0000  .0000  .0000
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Magnesiochromite
Download hom/magnesiochromite.pdf
Bosi F, Andreozzi G B, Ferrini V, Lucchesi S
Download am/vol89/AM89_1367.pdf
American Mineralogist 89 (2004) 1367-1373
Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites
Sample: Tro6f, Provenance is Tropoja massif, Sequence is cumulate
_database_code_amcsd 0003621
8.2743 8.2743 8.2743 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z  occ  Uiso
AlT     .125   .125   .125 .001 .0073
Fe2+T   .125   .125   .125 .162 .0073
Fe3+T   .125   .125   .125 .176 .0073
MgT     .125   .125   .125 .590 .0073
MnT     .125   .125   .125 .003 .0073
SiT     .125   .125   .125 .002 .0073
AlM       .5     .5     .5 .196 .0062
Fe3+M     .5     .5     .5 .001 .0062
CrM       .5     .5     .5 .791 .0062
VM        .5     .5     .5 .002 .0062
NiM       .5     .5     .5 .002 .0062
TiM       .5     .5     .5 .002 .0062
O     .26156 .26156 .26156      .0084
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Magnesiochromite
Download hom/magnesiochromite.pdf
Bosi F, Andreozzi G B, Ferrini V, Lucchesi S
Download am/vol89/AM89_1367.pdf
American Mineralogist 89 (2004) 1367-1373
Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites
Sample: Shb4b, Provenance is Shebenik massif, Sequence is cumulate
_database_code_amcsd 0003622
8.2991 8.2991 8.2991 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z  occ  Uiso
AlT     .125   .125   .125 .006 .0061
Fe2+T   .125   .125   .125 .278 .0061
Fe3+T   .125   .125   .125 .058 .0061
MgT     .125   .125   .125 .631 .0061
MnT     .125   .125   .125 .006 .0061
AlM       .5     .5     .5 .200 .0042
Fe2+M     .5     .5     .5 .005 .0042
Fe3+M     .5     .5     .5 .025 .0042
MgM       .5     .5     .5 .006 .0042
CrM       .5     .5     .5 .762 .0042
NiM       .5     .5     .5 .001 .0042
TiM       .5     .5     .5 .003 .0042
O     .26212 .26212 .26212      .0065
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Magnesiochromite
Download hom/magnesiochromite.pdf
Bosi F, Andreozzi G B, Ferrini V, Lucchesi S
Download am/vol89/AM89_1367.pdf
American Mineralogist 89 (2004) 1367-1373
Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites
Sample: Tro4f, Provenance is Tropoja massif, Sequence is tectonite
_database_code_amcsd 0003623
8.2915 8.2915 8.2915 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z  occ  Uiso
AlT     .125   .125   .125 .010 .0062
Fe2+T   .125   .125   .125 .395 .0062
Fe3+T   .125   .125   .125 .022 .0062
MgT     .125   .125   .125 .562 .0062
MnT     .125   .125   .125 .007 .0062
AlM       .5     .5     .5 .271 .0041
Fe3+M     .5     .5     .5 .032 .0041
MgM       .5     .5     .5 .012 .0041
CrM       .5     .5     .5 .681 .0041
NiM       .5     .5     .5 .002 .0041
TiM       .5     .5     .5 .003 .0041
O     .26267 .26267 .26267      .0063
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Magnesiochromite
Download hom/magnesiochromite.pdf
Bosi F, Andreozzi G B, Ferrini V, Lucchesi S
Download am/vol89/AM89_1367.pdf
American Mineralogist 89 (2004) 1367-1373
Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites
Sample: Tro4j, Provenance is Tropoja massif, Sequence is tectonite
_database_code_amcsd 0003624
8.2864 8.2864 8.2864 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z  occ  Uiso
AlT     .125   .125   .125 .007 .0062
Fe2+T   .125   .125   .125 .329 .0062
Fe3+T   .125   .125   .125 .034 .0062
MgT     .125   .125   .125 .619 .0062
MnT     .125   .125   .125 .006 .0062
AlM       .5     .5     .5 .284 .0042
Fe2+M     .5     .5     .5 .011 .0042
Fe3+M     .5     .5     .5 .022 .0042
MgM       .5     .5     .5 .006 .0042
CrM       .5     .5     .5 .673 .0042
VM        .5     .5     .5 .002 .0042
NiM       .5     .5     .5 .001 .0042
TiM       .5     .5     .5 .003 .0042
O     .26253 .26253 .26253      .0061
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Magnesiochromite
Download hom/magnesiochromite.pdf
Bosi F, Andreozzi G B, Ferrini V, Lucchesi S
Download am/vol89/AM89_1367.pdf
American Mineralogist 89 (2004) 1367-1373
Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites
Sample: N10a, Provenance is Bulqize, Bulqiza massif, Sequence is tectonite
_database_code_amcsd 0003625
8.3133 8.3133 8.3133 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z  occ  Uiso
AlT     .125   .125   .125 .002 .0064
Fe2+T   .125   .125   .125 .376 .0064
Fe3+T   .125   .125   .125 .021 .0064
MgT     .125   .125   .125 .587 .0064
MnT     .125   .125   .125 .008 .0064
AlM       .5     .5     .5 .181 .0044
Fe2+M     .5     .5     .5 .001 .0044
Fe3+M     .5     .5     .5 .034 .0044
MgM       .5     .5     .5 .005 .0044
CrM       .5     .5     .5 .776 .0044
VM        .5     .5     .5 .002 .0044
TiM       .5     .5     .5 .002 .0044
O     .26236 .26236 .26236      .0061
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Magnesiochromite
Download hom/magnesiochromite.pdf
Bosi F, Andreozzi G B, Ferrini V, Lucchesi S
Download am/vol89/AM89_1367.pdf
American Mineralogist 89 (2004) 1367-1373
Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites
Sample: N7g, Provenance is Bulqize, Bulqiza massif, Sequence is tectonite
_database_code_amcsd 0003626
8.3091 8.3091 8.3091 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z  occ  Uiso
AlT     .125   .125   .125 .001 .0060
Fe2+T   .125   .125   .125 .343 .0060
Fe3+T   .125   .125   .125 .026 .0060
MgT     .125   .125   .125 .608 .0060
MnT     .125   .125   .125 .009 .0060
AlM       .5     .5     .5 .196 .0039
Fe3+M     .5     .5     .5 .050 .0039
CrM       .5     .5     .5 .750 .0039
NiM       .5     .5     .5 .001 .0039
TiM       .5     .5     .5 .003 .0039
O     .26239 .26239 .26239      .0060
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Magnesiochromite
Download hom/magnesiochromite.pdf
Bosi F, Andreozzi G B, Ferrini V, Lucchesi S
Download am/vol89/AM89_1367.pdf
American Mineralogist 89 (2004) 1367-1373
Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites
Sample: Thkv1a, Provenance is Thekna, Bulqiza massif, Sequence is tectonite
_database_code_amcsd 0003627
8.3081 8.3081 8.3081 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z  occ  Uiso
Fe2+T   .125   .125   .125 .323 .0058
Fe3+T   .125   .125   .125 .037 .0058
MgT     .125   .125   .125 .622 .0058
MnT     .125   .125   .125 .007 .0058
AlM       .5     .5     .5 .184 .0039
Fe2+M     .5     .5     .5 .004 .0039
Fe3+M     .5     .5     .5 .028 .0039
MgM       .5     .5     .5 .001 .0039
CrM       .5     .5     .5 .782 .0039
TiM       .5     .5     .5 .001 .0039
O     .26227 .26227 .26227      .0059
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Magnesiochromite
Download hom/magnesiochromite.pdf
Bosi F, Andreozzi G B, Ferrini V, Lucchesi S
Download am/vol89/AM89_1367.pdf
American Mineralogist 89 (2004) 1367-1373
Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites
Sample: Thkv1w, Provenance is Thekna, Bulqiza massif, Sequence is tectonite
_database_code_amcsd 0003628
8.3033 8.3033 8.3033 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z  occ  Uiso
AlT     .125   .125   .125 .017 .0066
Fe2+T   .125   .125   .125 .311 .0066
Fe3+T   .125   .125   .125 .039 .0066
MgT     .125   .125   .125 .612 .0066
MnT     .125   .125   .125 .006 .0066
AlM       .5     .5     .5 .185 .0048
Fe2+M     .5     .5     .5 .001 .0048
Fe3+M     .5     .5     .5 .025 .0048
MgM       .5     .5     .5 .010 .0048
CrM       .5     .5     .5 .776 .0048
VM        .5     .5     .5 .002 .0048
TiM       .5     .5     .5 .001 .0048
O     .26207 .26207 .26207      .0070
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Magnesiochromite
Download hom/magnesiochromite.pdf
Bosi F, Andreozzi G B, Ferrini V, Lucchesi S
Download am/vol89/AM89_1367.pdf
American Mineralogist 89 (2004) 1367-1373
Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites
Sample: Shb2m, Provenance is Shebenik massif, Sequence is tectonite
_database_code_amcsd 0003629
8.2793 8.2793 8.2793 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z  occ  Uiso
Fe2+T   .125   .125   .125 .200 .0062
Fe3+T   .125   .125   .125 .133 .0062
MgT     .125   .125   .125 .623 .0062
MnT     .125   .125   .125 .004 .0062
AlM       .5     .5     .5 .211 .0046
Fe3+M     .5     .5     .5 .017 .0046
MgM       .5     .5     .5 .010 .0046
CrM       .5     .5     .5 .753 .0046
VM        .5     .5     .5 .001 .0046
NiM       .5     .5     .5 .002 .0046
TiM       .5     .5     .5 .002 .0046
O     .26187 .26187 .26187      .0067
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Magnesiochromite
Download hom/magnesiochromite.pdf
Bosi F, Andreozzi G B, Ferrini V, Lucchesi S
Download am/vol89/AM89_1367.pdf
American Mineralogist 89 (2004) 1367-1373
Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites
Sample: Shb4f, Provenance is Shebenik massif, Sequence is cumulate
_database_code_amcsd 0003630
8.2902 8.2902 8.2902 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z  occ  Uiso
Fe2+T   .125   .125   .125 .275 .0057
Fe3+T   .125   .125   .125 .071 .0057
MgT     .125   .125   .125 .625 .0057
MnT     .125   .125   .125 .006 .0057
SiT     .125   .125   .125 .001 .0057
AlM       .5     .5     .5 .222 .0035
Fe3+M     .5     .5     .5 .016 .0035
MgM       .5     .5     .5 .006 .0035
CrM       .5     .5     .5 .750 .0035
VM        .5     .5     .5 .002 .0035
NiM       .5     .5     .5 .002 .0035
TiM       .5     .5     .5 .001 .0035
O     .26220 .26220 .26220      .0054
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Magnesiochromite
Download hom/magnesiochromite.pdf
Bosi F, Andreozzi G B, Ferrini V, Lucchesi S
Download am/vol89/AM89_1367.pdf
American Mineralogist 89 (2004) 1367-1373
Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites
Sample: Thkv2w, Provenance is Thekna, Bulqiza massif, Sequence is tectonite
_database_code_amcsd 0003631
8.3057 8.3057 8.3057 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z  occ  Uiso
Fe2+T   .125   .125   .125 .295 .0057
Fe3+T   .125   .125   .125 .033 .0057
MgT     .125   .125   .125 .655 .0057
MnT     .125   .125   .125 .007 .0057
SiT     .125   .125   .125 .001 .0057
ZnT     .125   .125   .125 .002 .0057
AlM       .5     .5     .5 .189 .0036
Fe3+M     .5     .5     .5 .033 .0036
MgM       .5     .5     .5 .006 .0036
CrM       .5     .5     .5 .768 .0036
VM        .5     .5     .5 .001 .0036
NiM       .5     .5     .5 .002 .0036
TiM       .5     .5     .5 .001 .0036
O     .26225 .26225 .26225      .0057
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Magnesiochromite
Download hom/magnesiochromite.pdf
Bosi F, Andreozzi G B, Ferrini V, Lucchesi S
Download am/vol89/AM89_1367.pdf
American Mineralogist 89 (2004) 1367-1373
Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites
Sample: N2h, Provenance is Bulqize, Bulqiza massif, Sequence is tectonite
_database_code_amcsd 0003632
8.3071 8.3071 8.3071 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z  occ  Uiso
AlT     .125   .125   .125 .010 .0064
Fe2+T   .125   .125   .125 .334 .0064
Fe3+T   .125   .125   .125 .018 .0064
MgT     .125   .125   .125 .626 .0064
MnT     .125   .125   .125 .006 .0064
SiT     .125   .125   .125 .001 .0064
AlM       .5     .5     .5 .189 .0043
Fe2+M     .5     .5     .5 .001 .0043
Fe3+M     .5     .5     .5 .023 .0043
MgM       .5     .5     .5 .011 .0043
CrM       .5     .5     .5 .774 .0043
VM        .5     .5     .5 .001 .0043
TiM       .5     .5     .5 .001 .0043
O     .26223 .26223 .26223      .0064
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Magnesiochromite
Download hom/magnesiochromite.pdf
Bosi F, Andreozzi G B, Ferrini V, Lucchesi S
Download am/vol89/AM89_1367.pdf
American Mineralogist 89 (2004) 1367-1373
Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites
Sample: Shkm1i, Provenance is Shkalla, Bulqiza massif, Sequence is tectonite
_database_code_amcsd 0003633
8.3006 8.3006 8.3006 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z  occ  Uiso
AlT     .125   .125   .125 .016 .0065
Fe2+T   .125   .125   .125 .288 .0065
Fe3+T   .125   .125   .125 .006 .0065
MgT     .125   .125   .125 .678 .0065
MnT     .125   .125   .125 .006 .0065
SiT     .125   .125   .125 .002 .0065
AlM       .5     .5     .5 .211 .0046
Fe2+M     .5     .5     .5 .003 .0046
Fe3+M     .5     .5     .5 .042 .0046
MgM       .5     .5     .5 .002 .0046
CrM       .5     .5     .5 .737 .0046
VM        .5     .5     .5 .001 .0046
NiM       .5     .5     .5 .002 .0046
TiM       .5     .5     .5 .002 .0046
O     .26224 .26224 .26224      .0066
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Magnesiochromite
Download hom/magnesiochromite.pdf
Bosi F, Andreozzi G B, Ferrini V, Lucchesi S
Download am/vol89/AM89_1367.pdf
American Mineralogist 89 (2004) 1367-1373
Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites
Sample: Shkm3g, Provenance is Shkalla, Bulqiza massif, Sequence is tectonite
_database_code_amcsd 0003634
8.2982 8.2982 8.2982 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z  occ  Uiso
AlT     .125   .125   .125 .001 .0060
Fe2+T   .125   .125   .125 .311 .0060
Fe3+T   .125   .125   .125 .039 .0060
MgT     .125   .125   .125 .634 .0060
MnT     .125   .125   .125 .007 .0060
AlM       .5     .5     .5 .225 .0041
Fe2+M     .5     .5     .5 .004 .0041
Fe3+M     .5     .5     .5 .028 .0041
MgM       .5     .5     .5 .006 .0041
CrM       .5     .5     .5 .733 .0041
NiM       .5     .5     .5 .002 .0041
TiM       .5     .5     .5 .002 .0041
O     .26238 .26238 .26238      .0062
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Magnesiochromite
Download hom/magnesiochromite.pdf
Bosi F, Andreozzi G B, Ferrini V, Lucchesi S
Download am/vol89/AM89_1367.pdf
American Mineralogist 89 (2004) 1367-1373
Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites
Sample: Ba4c, Provenance is Bater, Bulqiza massif, Sequence is cumulate
_database_code_amcsd 0003635
8.3101 8.3101 8.3101 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z  occ  Uiso
AlT     .125   .125   .125 .005 .0065
Fe2+T   .125   .125   .125 .268 .0065
Fe3+T   .125   .125   .125 .017 .0065
MgT     .125   .125   .125 .700 .0065
MnT     .125   .125   .125 .006 .0065
SiT     .125   .125   .125 .001 .0065
AlM       .5     .5     .5 .175 .0046
Fe2+M     .5     .5     .5 .001 .0046
Fe3+M     .5     .5     .5 .041 .0046
MgM       .5     .5     .5 .002 .0046
CrM       .5     .5     .5 .775 .0046
VM        .5     .5     .5 .001 .0046
NiM       .5     .5     .5 .002 .0046
TiM       .5     .5     .5 .002 .0046
O     .26213 .26213 .26213      .0066
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Spinel
Download hom/spinel.pdf
Bosi F, Andreozzi G B, Ferrini V, Lucchesi S
Download am/vol89/AM89_1367.pdf
American Mineralogist 89 (2004) 1367-1373
Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites
Sample: N4x, Provenance is Bulqize, Bulqiza massif, Sequence is tectonite
_database_code_amcsd 0003636
8.1992 8.1992 8.1992 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z  occ  Uiso
AlT     .125   .125   .125 .064 .0064
Fe2+T   .125   .125   .125 .246 .0064
Fe3+T   .125   .125   .125 .012 .0064
MgT     .125   .125   .125 .670 .0064
MnT     .125   .125   .125 .004 .0064
AlM       .5     .5     .5 .587 .0049
Fe2+M     .5     .5     .5 .002 .0049
Fe3+M     .5     .5     .5 .021 .0049
MgM       .5     .5     .5 .032 .0049
CrM       .5     .5     .5 .352 .0049
NiM       .5     .5     .5 .003 .0049
TiM       .5     .5     .5 .003 .0049
O     .26315 .26315 .26315      .0070
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Magnesiochromite
Download hom/magnesiochromite.pdf
Bosi F, Andreozzi G B, Ferrini V, Lucchesi S
Download am/vol89/AM89_1367.pdf
American Mineralogist 89 (2004) 1367-1373
Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern belt ophiolites
Sample: Ba2y, Provenance is Bater, Bulqiza massif, Sequence is cumulate
_database_code_amcsd 0003637
8.3043 8.3043 8.3043 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z  occ  Uiso
AlT     .125   .125   .125 .013 .0061
Fe2+T   .125   .125   .125 .222 .0061
Fe3+T   .125   .125   .125 .046 .0061
MgT     .125   .125   .125 .692 .0061
MnT     .125   .125   .125 .006 .0061
AlM       .5     .5     .5 .162 .0045
Fe2+M     .5     .5     .5 .001 .0045
Fe3+M     .5     .5     .5 .028 .0045
MgM       .5     .5     .5 .001 .0045
CrM       .5     .5     .5 .803 .0045
VM        .5     .5     .5 .001 .0045
NiM       .5     .5     .5 .002 .0045
TiM       .5     .5     .5 .001 .0045
O     .26187 .26187 .26187      .0065
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Manganaxinite
Download hom/manganaxinite.pdf
Andreozzi G B, Lucchesi S, Graziani G, Russo U
Download am/vol89/AM89_1763.pdf
American Mineralogist 89 (2004) 1763-1771
Site distribution of Fe2+ and Fe3+ in axinite mineral group:
New crystal-chemical formula
Sample 47
_database_code_amcsd 0003658
7.1849 9.2152 8.9765 91.761 98.153 77.150 P-1
atom        x      y      z  occ   Uiso
SiT1   .21431 .45019 .23727      .00472
SiT2   .21933 .27500 .52453      .00401
SiT3   .70072 .25369 .01152      .00478
SiT4   .64055 .01901 .23013      .00447
BT5    .46165 .63523 .28647      .00132
CaX1   .74611 .34774 .39587      .00775
CaX2   .18328 .10062 .08379  .95 .00857
MnX2   .18328 .10062 .08379  .05 .00857
MnY    .76934 .58917 .11157 .945 .00797
Fe2+Y  .76934 .58917 .11157 .035 .00797
MgY    .76934 .58917 .11157 .005 .00797
AlY    .76934 .58917 .11157 .015 .00797
AlZ1   .05275 .80181 .25422  .87 .00412
Fe3+Z1 .05275 .80181 .25422  .13 .00412
AlZ2   .35213 .93654 .42153 .975 .00422
Fe3+Z2 .35213 .93654 .42153 .015 .00422
MgZ2   .35213 .93654 .42153 .010 .00422
O1     .05970 .60338 .18974      .00692
O2     .23487 .33740 .10084      .00916
O3     .42142 .48736 .31412      .00673
O4     .13711 .37590 .37345      .00980
O5     .02186 .24271 .56344      .00655
O6     .32635 .37826 .64732      .00614
O7     .38006 .12749 .49598      .00509
O8     .54054 .34368 .87721      .00664
O9     .87760 .15216 .93434      .00660
O10    .77047 .36264 .13966      .00890
O11    .60365 .13357 .08602      .00924
O12    .43632 .98193 .24413      .00651
O13    .71944 .09975 .38340      .00596
O14    .79302 .87344 .17787      .00753
O15    .32625 .74656 .35564      .00531
O16    .09696 .99702 .32332      .00668
H        .001   .951   .627   .9
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Axinite-(Mn)
Download hom/axinitemn.pdf
Andreozzi G B, Lucchesi S, Graziani G, Russo U
Download am/vol89/AM89_1763.pdf
American Mineralogist 89 (2004) 1763-1771
Site distribution of Fe2+ and Fe3+ in axinite mineral group:
New crystal-chemical formula
Sample 47
_database_code_amcsd 0003659
7.1849 9.2152 8.9765 91.761 98.153 77.150 P-1
atom        x      y      z  occ   Uiso
SiT1   .21431 .45019 .23727      .00472
SiT2   .21933 .27500 .52453      .00401
SiT3   .70072 .25369 .01152      .00478
SiT4   .64055 .01901 .23013      .00447
BT5    .46165 .63523 .28647      .00132
CaX1   .74611 .34774 .39587      .00775
CaX2   .18328 .10062 .08379  .95 .00857
MnX2   .18328 .10062 .08379  .05 .00857
MnY    .76934 .58917 .11157 .945 .00797
Fe2+Y  .76934 .58917 .11157 .035 .00797
MgY    .76934 .58917 .11157 .005 .00797
AlY    .76934 .58917 .11157 .015 .00797
AlZ1   .05275 .80181 .25422  .87 .00412
Fe3+Z1 .05275 .80181 .25422  .13 .00412
AlZ2   .35213 .93654 .42153 .975 .00422
Fe3+Z2 .35213 .93654 .42153 .015 .00422
MgZ2   .35213 .93654 .42153 .010 .00422
O1     .05970 .60338 .18974      .00692
O2     .23487 .33740 .10084      .00916
O3     .42142 .48736 .31412      .00673
O4     .13711 .37590 .37345      .00980
O5     .02186 .24271 .56344      .00655
O6     .32635 .37826 .64732      .00614
O7     .38006 .12749 .49598      .00509
O8     .54054 .34368 .87721      .00664
O9     .87760 .15216 .93434      .00660
O10    .77047 .36264 .13966      .00890
O11    .60365 .13357 .08602      .00924
O12    .43632 .98193 .24413      .00651
O13    .71944 .09975 .38340      .00596
O14    .79302 .87344 .17787      .00753
O15    .32625 .74656 .35564      .00531
O16    .09696 .99702 .32332      .00668
H        .001   .951   .627   .9
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Elbaite
Download hom/elbaite.pdf
Bosi F, Andreozzi G B, Federico M, Graziani G, Lucchesi S
Download am/vol90/AM90_1784.pdf
American Mineralogist 90 (2005) 1784-1792
Crystal chemistry of the elbaite-schorl series
Locality: Cruziero pegmatite, Minas Gerais, Brazil
Sample: 66c
_database_code_amcsd 0003949
15.8318 15.8318 7.0998 90 90 120 R3m
atom      x      y      z   occ   Uiso
NaX       0      0 .23136  .549  .0213
CaX       0      0 .23136  .018  .0213
AlY  .12312 .06156 .63440 .5353  .0067
MnY  .12312 .06156 .63440 .0103  .0067
LiY  .12312 .06156 .63440 .4543  .0067
AlZ  .29670 .25987 .60996       .00524
SiT  .19197 .18988      0       .00416
B    .10903 .21806 .45468        .0051
OH1W      0      0 .78239  .681  .0409
F1W       0      0 .78239  .319  .0409
O2   .06015 .12030 .48966  .973  .0141
OH2  .06015 .12030 .48966  .027  .0141
OH3V .26544 .13272 .50744        .0115
O4   .09365 .18730 .07309        .0078
O5   .18746 .09373 .09545        .0079
O6   .19541 .18490 .77503        .0066
O7   .28626 .28609 .07879        .0057
O8   .20937 .26983 .43938        .0070
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Elbaite
Download hom/elbaite.pdf
Bosi F, Andreozzi G B, Federico M, Graziani G, Lucchesi S
Download am/vol90/AM90_1784.pdf
American Mineralogist 90 (2005) 1784-1792
Crystal chemistry of the elbaite-schorl series
Locality: Cruziero pegmatite, Minas Gerais, Brazil
Sample: 61Rda
_database_code_amcsd 0003950
15.8343 15.8343 7.1007 90 90 120 R3m
atom      x       y      z   occ   Uiso
NaX       0       0 .23271  .515  .0184
CaX       0       0 .23271  .040  .0184
KX        0       0 .23271  .009  .0184
AlY  .12327 .061635 .63436  .529  .0065
MnY  .12327 .061635 .63436 .0097  .0065
LiY  .12327 .061635 .63436 .4617  .0065
AlZ  .29672  .25987 .61011       .00498
SiT  .19196  .18989      0       .00391
B    .10906  .21812 .45484        .0055
OH1W      0       0 .78265  .619  .0386
F1W       0       0 .78265  .381  .0386
O2   .06017  .12034 .48937 .9957  .0143
OH2  .06017  .12034 .48937 .0043  .0143
O3V  .26567 .132835 .50772        .0112
O4   .09354  .18708 .07289        .0075
O5   .18713 .093565 .09540        .0078
O6   .19543  .18500 .77522        .0064
O7   .28621  .28605 .07882        .0054
O8   .20944  .26987 .43952        .0067
H3     .259   .1295   .357          .18
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Fluor-elbaite
 
Bosi F, Andreozzi G B, Federico M, Graziani G, Lucchesi S
Download am/vol90/AM90_1784.pdf
American Mineralogist 90 (2005) 1784-1792
Crystal chemistry of the elbaite-schorl series
Locality: Cruziero pegmatite, Minas Gerais, Brazil
Sample: 60fc
_database_code_amcsd 0003951
15.8468 15.8468 7.1058 90 90 120 R3m
atom      x       y      z   occ   Uiso
NaX       0       0 .23498  .674  .0211
AlY  .12331 .061655 .63199 .5047  .0060
FeY  .12331 .061655 .63199 .0647  .0060
MnY  .12331 .061655 .63199 .0143  .0060
LiY  .12331 .061655 .63199 .4167  .0060
AlZ  .29690  .26012 .61026       .00460
SiT  .19191  .18985      0 .9927 .00358
BT   .19191  .18985      0 .0073 .00358
B    .10914  .21828 .45492        .0048
F1W       0       0 .78146  .626  .0450
OH1W      0       0 .78146  .374  .0450
O2   .06032  .12064 .48814 .9337  .0139
OH2  .06032  .12064 .48814 .0663  .0139
O3V  .26605 .133025 .50807        .0111
O4   .09350  .18700 .07286        .0072
O5   .18711 .093555 .09511        .0074
O6   .19578  .18530 .77522        .0061
O7   .28610  .28603 .07908        .0050
O8   .20954  .27012 .43987        .0063
H3     .254    .127   .355          .08
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Fluor-elbaite
 
Bosi F, Andreozzi G B, Federico M, Graziani G, Lucchesi S
Download am/vol90/AM90_1784.pdf
American Mineralogist 90 (2005) 1784-1792
Crystal chemistry of the elbaite-schorl series
Locality: Cruziero pegmatite, Minas Gerais, Brazil
Sample: 62ha
_database_code_amcsd 0003952
15.8528 15.8528 7.1083 90 90 120 R3m
atom      x      y      z   occ   Uiso
NaX       0      0 .23367  .625  .0196
AlY  .12318 .06159 .63221 .4863  .0065
FeY  .12318 .06159 .63221 .0393  .0065
MnY  .12318 .06159 .63221  .032  .0065
MgY  .12318 .06159 .63221 .0417  .0065
LiY  .12318 .06159 .63221 .4273  .0065
AlZ  .29691 .26007 .61051 .9995 .00496
FeZ  .29691 .26007 .61051 .0005 .00496
SiT  .19197 .18992      0 .9943 .00389
BT   .19197 .18992      0 .0057 .00389
B    .10919 .21838 .45486        .0056
F1W       0      0 .78347  .503  .0460
OH1W      0      0 .78347  .497  .0460
O2   .06033 .12066 .48778  .928  .0151
OH2  .06033 .12066 .48778  .072  .0151
O3V  .26666 .13333 .50809        .0111
O4   .09343 .18686 .07244        .0075
O5   .18702 .09351 .09466        .0076
O6   .19586 .18550 .77525        .0066
O7   .28603 .28599 .07939        .0055
O8   .20958 .27010 .44007        .0068
H3     .258   .129   .373          .08
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Fluor-elbaite
 
Bosi F, Andreozzi G B, Federico M, Graziani G, Lucchesi S
Download am/vol90/AM90_1784.pdf
American Mineralogist 90 (2005) 1784-1792
Crystal chemistry of the elbaite-schorl series
Locality: Cruziero pegmatite, Minas Gerais, Brazil
Sample: 64gh
_database_code_amcsd 0003953
15.8801 15.8801 7.1169 90 90 120 R3m
atom      x       y      z   occ   Uiso
NaX       0       0 .23458  .661  .0193
CaX       0       0 .23458  .032  .0193
KX        0       0 .23458  .005  .0193
AlY  .12328  .06164 .62898 .4563  .0070
FeY  .12328  .06164 .62898 .0353  .0070
MnY  .12328  .06164 .62898  .139  .0070
LiY  .12328  .06164 .62898  .369  .0070
AlZ  .29727  .26053 .61095 .9978 .00537
MnZ  .29727  .26053 .61095 .0022 .00537
SiT  .19195  .18993      0 .9993 .00428
BT   .19195  .18993      0 .0007 .00428
B    .10940  .21880 .45466        .0059
F1W       0       0 .78274  .516   .055
OH1W      0       0 .78274  .484   .055
O2   .06057  .12114 .48512        .0177
OH2  .06057  .12114 .48512        .0177
O3V  .26771 .133855 .50884        .0110
O4   .09334  .18668 .07194        .0078
O5   .18687 .093435 .09427        .0080
O6   .19647  .18611 .77540        .0067
O7   .28589  .28598 .07977        .0057
O8   .20980  .27043 .44074        .0071
H3     .266    .133   .385          .04
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Fluor-elbaite
 
Bosi F, Andreozzi G B, Federico M, Graziani G, Lucchesi S
Download am/vol90/AM90_1784.pdf
American Mineralogist 90 (2005) 1784-1792
Crystal chemistry of the elbaite-schorl series
Locality: Cruziero pegmatite, Minas Gerais, Brazil
Sample: L4e
_database_code_amcsd 0003954
15.9010 15.9010 7.1238 90 90 120 R3m
atom      x       y      z   occ   Uiso
NaX       0       0 .23646  .841  .0209
KX        0       0 .23646  .005  .0209
AlY  .12393 .061965 .62863  .390  .0066
TiY  .12393 .061965 .62863 .0117  .0066
FeY  .12393 .061965 .62863  .265  .0066
MnY  .12393 .061965 .62863  .024  .0066
MgY  .12393 .061965 .62863 .0003  .0066
LiY  .12393 .061965 .62863  .309  .0066
AlZ  .29760  .26078 .61160 .9825  .0048
MgZ  .29760  .26078 .61160 .0175  .0048
SiT  .19196  .18993      0 .9948 .00379
AlT  .19196  .18993      0 .0028 .00379
BT   .19196  .18993      0 .0023 .00379
B    .10953  .21906 .45520        .0049
F1W       0       0 .78432  .754   .059
OH1W      0       0 .78432  .246   .059
O2   .06071  .12142 .48468 .9713  .0158
OH2  .06071  .12142 .48468 .0287  .0158
OH3V .26879 .134395 .50970        .0088
O4   .09314  .18628 .07146        .0075
O5   .18650  .09325 .09367        .0079
O6   .19699  .18687 .77585        .0065
O7   .28563  .28584 .08045        .0054
O8   .20995  .27049 .44164        .0067
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Fluor-elbaite
 
Bosi F, Andreozzi G B, Federico M, Graziani G, Lucchesi S
Download am/vol90/AM90_1784.pdf
American Mineralogist 90 (2005) 1784-1792
Crystal chemistry of the elbaite-schorl series
Locality: Cruziero pegmatite, Minas Gerais, Brazil
Sample: 61Vbh
_database_code_amcsd 0003955
15.9285 15.9285 7.1286 90 90 120 R3m
atom       x       y      z   occ   Uiso
NaX        0       0 .23439  .823  .0230
CaX        0       0 .23439  .049  .0230
KX         0       0 .23439  .008  .0230
AlY   .12429 .062145 .62729  .392  .0069
TiY   .12429 .062145 .62729  .005  .0069
Fe3+Y .12429 .062145 .62729  .010  .0069
Fe2+Y .12429 .062145 .62729  .287  .0069
MnY   .12429 .062145 .62729 .0497  .0069
ZnY   .12429 .062145 .62729  .050  .0069
LiY   .12429 .062145 .62729 .2163  .0069
AlZ   .29790  .26104 .61145 .9882  .0049
FeZ   .29790  .26104 .61145 .0118  .0049
SiT   .19201  .18998      0 .9785 .00378
AlT   .19201  .18998      0 .0172 .00378
BT    .19201  .18998      0 .0043 .00378
B     .10980  .21960 .45534        .0053
F1W        0       0 .78365  .542   .061
OH1W       0       0 .78365  .355   .061
O1         0       0 .78365  .103   .061
O2    .06107  .12214 .48478        .0167
OH3V  .26901 .134505 .50937        .0093
O4    .09325  .18650 .07042        .0077
O5    .18689 .093445 .09308        .0081
O6    .19751  .18714 .77552        .0064
O7    .28561  .28584 .08028        .0056
O8    .20992  .27047 .44139        .0069
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Fluor-elbaite
 
Bosi F, Andreozzi G B, Federico M, Graziani G, Lucchesi S
Download am/vol90/AM90_1784.pdf
American Mineralogist 90 (2005) 1784-1792
Crystal chemistry of the elbaite-schorl series
Locality: Cruziero pegmatite, Minas Gerais, Brazil
Sample: L4c
_database_code_amcsd 0003956
15.9569 15.9569 7.1369 90 90 120 R3m
atom       x      y      z   occ   Uiso
NaX        0      0 .23011  .649  .0241
KX         0      0 .23011  .007  .0241
AlY   .12462 .06231 .62638 .3593 .00763
TiY   .12462 .06231 .62638  .003 .00763
Fe3+Y .12462 .06231 .62638 .1097 .00763
Fe2+Y .12462 .06231 .62638 .3233 .00763
MnY   .12462 .06231 .62638 .0637 .00763
MgY   .12462 .06231 .62638 .0053 .00763
ZnY   .12462 .06231 .62638  .036 .00763
LiY   .12462 .06231 .62638 .0997 .00763
AlZ   .29823 .26135 .61087 .9767 .00470
Fe3Z  .29823 .26135 .61087 .0222 .00470
FeZ   .29823 .26135 .61087  .001 .00470
MgZ   .29823 .26135 .61087 .0002 .00470
SiT   .19199 .18995      0 .9822 .00393
AlT   .19199 .18995      0 .0178 .00393
B     .11008 .22016 .45477        .0052
F1W        0      0 .78192  .433   .054
OH1W       0      0 .78192  .346   .054
O1         0      0 .78192  .221   .054
O2    .06141 .12282 .48586        .0165
O3V   .26884 .13442 .50927        .0101
O4    .09339 .18678 .06920        .0081
O5    .18728 .09364 .09203        .0084
O6    .19781 .18730 .77537        .0067
O7    .28539 .28591 .07964        .0058
O8    .20986 .27064 .44098        .0073
H3      .260   .130   .393          .07
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Schorl
Download hom/schorl.pdf
Bosi F, Andreozzi G B, Federico M, Graziani G, Lucchesi S
Download am/vol90/AM90_1784.pdf
American Mineralogist 90 (2005) 1784-1792
Crystal chemistry of the elbaite-schorl series
Locality: Cruziero pegmatite, Minas Gerais, Brazil
Sample: L3h
_database_code_amcsd 0003957
15.9784 15.9784 7.1495 90 90 120 R3m
atom       x       y      z   occ  Uiso
CaX        0       0 .22524  .036  .024
NaX        0       0 .22524  .602  .024
KX         0       0 .22524  .008  .024
TiY   .12441 .062205 .62765  .009 .0085
AlY   .12441 .062205 .62765 .3337 .0085
Fe3+Y .12441 .062205 .62765  .180 .0085
Fe2+Y .12441 .062205 .62765 .3883 .0085
MnY   .12441 .062205 .62765 .0327 .0085
ZnY   .12441 .062205 .62765 .0157 .0085
LiY   .12441 .062205 .62765 .0403 .0085
AlZ   .29841  .26156 .61074  .961 .0054
FeZ   .29841  .26156 .61074 .0338 .0054
MgZ   .29841  .26156 .61074  .010 .0054
B     .11023  .22046 .45497       .0062
SiT   .19199  .18992      0 .9723 .0048
AlT   .19199  .18992      0 .0277 .0048
F1W        0       0 .78194  .235  .051
OH1W       0       0 .78194  .303  .051
O1         0       0 .78194  .462  .051
O2    .06164  .12328 .48594       .0159
O3V   .26832  .13416 .50951       .0112
O4    .09332  .18664 .06841       .0094
O5    .18760  .09380 .09145       .0098
O6    .19796  .18744 .77538       .0079
O7    .28530  .28592 .07952       .0072
O8    .20982  .27070 .44079       .0085
H3      .249   .1245    .36         .06
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Schorl
Download hom/schorl.pdf
Bosi F, Andreozzi G B, Federico M, Graziani G, Lucchesi S
Download am/vol90/AM90_1784.pdf
American Mineralogist 90 (2005) 1784-1792
Crystal chemistry of the elbaite-schorl series
Locality: Cruziero pegmatite, Minas Gerais, Brazil
Sample: L4b
_database_code_amcsd 0003958
15.9658 15.9658 7.1487 90 90 120 R3m
atom       x      y      z   occ   Uiso
CaX        0      0 .22748  .009  .0234
NaX        0      0 .22748  .632  .0234
KX         0      0 .22748  .009  .0234
TiY   .12424 .06212 .62749 .0077 .00755
AlY   .12424 .06212 .62749 .3523 .00755
Fe3+Y .12424 .06212 .62749 .1393 .00755
Fe2+Y .12424 .06212 .62749 .3797 .00755
MnY   .12424 .06212 .62749 .0413 .00755
ZnY   .12424 .06212 .62749 .0223 .00755
LiY   .12424 .06212 .62749 .0573 .00755
AlZ   .29832 .26140 .61065 .9618  .0048
Fe3Z  .29832 .26140 .61065 .0275  .0048
FeZ   .29832 .26140 .61065 .0087  .0048
MgZ   .29832 .26140 .61065  .002  .0048
B     .11013 .22026 .45520        .0054
SiT   .19190 .18991      0 .9882  .0040
AlT   .19190 .18991      0 .0118  .0040
F1W        0      0 .78097  .295   .045
OH1W       0      0 .78097  .363   .045
O1         0      0 .78097  .342   .045
O2    .06147 .12294 .48621        .0152
O3V   .26860 .13430 .50962        .0104
O4    .09339 .18678 .06905        .0086
O5    .18714 .09357 .09126        .0085
O6    .19779 .18738 .77572        .0069
O7    .28519 .28571 .07954        .0062
O8    .20980 .27072 .44095        .0077
H3      .261  .1305   .390          .06
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Schorl
Download hom/schorl.pdf
Bosi F, Andreozzi G B, Federico M, Graziani G, Lucchesi S
Download am/vol90/AM90_1784.pdf
American Mineralogist 90 (2005) 1784-1792
Crystal chemistry of the elbaite-schorl series
Locality: Cruziero pegmatite, Minas Gerais, Brazil
Sample: L4d
_database_code_amcsd 0003959
15.9768 15.9768 7.1534 90 90 120 R3m
atom       x       y      z   occ   Uiso
CaX        0       0 .22648  .022  .0228
NaX        0       0 .22648  .556  .0228
KX         0       0 .22648  .007  .0228
TiY   .12429 .062145 .62778 .0063 .00759
AlY   .12429 .062145 .62778 .3557 .00759
Fe3+Y .12429 .062145 .62778 .1347 .00759
Fe2+Y .12429 .062145 .62778  .442 .00759
MnY   .12429 .062145 .62778 .0143 .00759
MgY   .12429 .062145 .62778 .0357 .00759
ZnY   .12429 .062145 .62778  .011 .00759
AlZ   .29840  .26155 .61057 .9533 .00447
Fe3Z  .29840  .26155 .61057 .0417 .00447
FeZ   .29840  .26155 .61057 .0002 .00447
MgZ   .29840  .26155 .61057  .005 .00447
B     .11032  .22064 .45469        .0052
SiT   .19196  .18992      0 .9805 .00387
AlT   .19196  .18992      0 .0195 .00387
F1W        0       0 .78056  .201   .039
OH1W       0       0 .78056  .347   .039
O1         0       0 .78056  .452   .039
O2    .06170  .12340 .48699        .0146
O3V   .26807 .134035 .50941        .0111
O4    .09342  .18684 .06841        .0084
O5    .18750  .09375 .09164        .0086
O6    .19789  .18741 .77562        .0070
O7    .28522  .28575 .07907        .0064
O8    .20983  .27073 .44069        .0079
H3      .254    .127   .386          .09
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Oxy-schorl
 
Bosi F, Andreozzi G B, Federico M, Graziani G, Lucchesi S
Download am/vol90/AM90_1784.pdf
American Mineralogist 90 (2005) 1784-1792
Crystal chemistry of the elbaite-schorl series
Locality: Cruziero pegmatite, Minas Gerais, Brazil
Sample: L1v
_database_code_amcsd 0003960
15.9825 15.9825 7.1596 90 90 120 R3m
atom       x      y      z   occ   Uiso
CaX        0      0 .22594  .048  .0209
NaX        0      0 .22594  .647  .0209
KX         0      0 .22594  .010  .0209
TiY   .12452 .06226 .62843 .0107 .00786
AlY   .12452 .06226 .62843 .2883 .00786
Fe3+Y .12452 .06226 .62843 .2427 .00786
Fe2+Y .12452 .06226 .62843 .3623 .00786
MnY   .12452 .06226 .62843 .0107 .00786
MgY   .12452 .06226 .62843  .063 .00786
ZnY   .12452 .06226 .62843 .0087 .00786
LiY   .12452 .06226 .62843 .0133 .00786
AlZ   .29850 .26164 .61093 .9538  .0048
Fe3Z  .29850 .26164 .61093  .032  .0048
FeZ   .29850 .26164 .61093 .0038  .0048
MgZ   .29850 .26164 .61093 .0103  .0048
B     .11030 .22060 .45479        .0049
SiT   .19200 .18999      0 .9718 .00399
AlT   .19200 .18999      0 .0282 .00399
F1W        0      0 .78131  .201   .042
OH1W       0      0 .78131  .367   .042
O1         0      0 .78131  .432   .042
O2    .06154 .12308 .48544        .0145
O3V   .26866 .13433 .50964        .0109
O4    .09317 .18634 .06864        .0088
O5    .18676 .09338 .09128        .0089
O6    .19794 .18748 .77573        .0070
O7    .28533 .28579 .07946        .0064
O8    .20979 .27061 .44096        .0078
H3      .261  .1305   .394          .03
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Oxy-schorl
 
Bosi F, Andreozzi G B, Federico M, Graziani G, Lucchesi S
Download am/vol90/AM90_1784.pdf
American Mineralogist 90 (2005) 1784-1792
Crystal chemistry of the elbaite-schorl series
Locality: Cruziero pegmatite, Minas Gerais, Brazil
Sample: L1z
_database_code_amcsd 0003961
15.9842 15.9842 7.1581 90 90 120 R3m
atom       x      y      z   occ   Uiso
CaX        0      0 .22528  .071  .0203
NaX        0      0 .22528  .629  .0203
KX         0      0 .22528  .007  .0203
TiY   .12454 .06227 .62850 .0113 .00805
AlY   .12454 .06227 .62850 .3087 .00805
Fe3+Y .12454 .06227 .62850  .188 .00805
Fe2+Y .12454 .06227 .62850 .4093 .00805
MnY   .12454 .06227 .62850  .012 .00805
MgY   .12454 .06227 .62850 .0433 .00805
ZnY   .12454 .06227 .62850 .0103 .00805
LiY   .12454 .06227 .62850 .0167 .00805
AlZ   .29848 .26167 .61089 .9352  .0049
Fe3Z  .29848 .26167 .61089 .0158  .0049
FeZ   .29848 .26167 .61089 .0213  .0049
MgZ   .29848 .26167 .61089 .0277  .0049
B     .11022 .22044 .45450        .0054
SiT   .19198 .18997      0  .972 .00428
AlT   .19198 .18997      0  .028 .00428
F1W        0      0 .78150  .249   .040
OH1W       0      0 .78150  .321   .040
O1         0      0 .78150  .430   .040
O2    .06159 .12318 .48544        .0139
O3V   .26860 .13430 .50965        .0108
O4    .09318 .18636 .06852        .0088
O5    .18686 .09343 .09141        .0093
O6    .19789 .18751 .77579        .0070
O7    .28532 .28577 .07937        .0067
O8    .20975 .27057 .44099        .0080
H3      .259  .1295   .396          .07
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Spinel
Download hom/spinel.pdf
Martignago F, Andreozzi G B, Dal Negro A
Download am/vol91/AM91_306.pdf
American Mineralogist 91 (2006) 306-312
Thermodynamics and kinetics of cation ordering in natural and synthetic
Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
Locality: synthetic
Sample: MgFe20, T = 25 C
_database_code_amcsd 0004018
8.1154 8.1154 8.1154 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
MgT    .125   .125   .125  .726 .0041
AlT    .125   .125   .125  .182 .0041
FeT    .125   .125   .125  .093 .0041
AlM      .5     .5     .5 .8085 .0060
MgM      .5     .5     .5  .138 .0060
FeM      .5     .5     .5  .054 .0060
O    .26180 .26180 .26180       .0081
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Spinel
Download hom/spinel.pdf
Martignago F, Andreozzi G B, Dal Negro A
Download am/vol91/AM91_306.pdf
American Mineralogist 91 (2006) 306-312
Thermodynamics and kinetics of cation ordering in natural and synthetic
Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
Locality: synthetic
Sample: MgFe20, T = 200 C
_database_code_amcsd 0004019
8.1256 8.1256 8.1256 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
MgT    .125   .125   .125  .719 .0063
AlT    .125   .125   .125  .183 .0063
FeT    .125   .125   .125  .098 .0063
AlM      .5     .5     .5 .8095 .0076
MgM      .5     .5     .5 .1395 .0076
FeM      .5     .5     .5 .0505 .0076
O    .26177 .26177 .26177       .0098
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Spinel
Download hom/spinel.pdf
Martignago F, Andreozzi G B, Dal Negro A
Download am/vol91/AM91_306.pdf
American Mineralogist 91 (2006) 306-312
Thermodynamics and kinetics of cation ordering in natural and synthetic
Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
Locality: synthetic
Sample: MgFe20, T = 400 C
_database_code_amcsd 0004020
8.1399 8.1399 8.1399 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
MgT    .125   .125   .125 .721 .0088
AlT    .125   .125   .125 .187 .0088
FeT    .125   .125   .125 .091 .0088
AlM      .5     .5     .5 .807 .0102
MgM      .5     .5     .5 .139 .0102
FeM      .5     .5     .5 .054 .0102
O    .26177 .26177 .26177      .0127
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Spinel
Download hom/spinel.pdf
Martignago F, Andreozzi G B, Dal Negro A
Download am/vol91/AM91_306.pdf
American Mineralogist 91 (2006) 306-312
Thermodynamics and kinetics of cation ordering in natural and synthetic
Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
Locality: synthetic
Sample: MgFe20, T = 450 C
_database_code_amcsd 0004021
8.1438 8.1438 8.1438 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
MgT    .125   .125   .125  .724 .0091
AlT    .125   .125   .125  .186 .0091
FeT    .125   .125   .125  .090 .0091
AlM      .5     .5     .5 .8075 .0106
MgM      .5     .5     .5 .1375 .0106
FeM      .5     .5     .5  .055 .0106
O    .26176 .26176 .26176       .0134
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Spinel
Download hom/spinel.pdf
Martignago F, Andreozzi G B, Dal Negro A
Download am/vol91/AM91_306.pdf
American Mineralogist 91 (2006) 306-312
Thermodynamics and kinetics of cation ordering in natural and synthetic
Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
Locality: synthetic
Sample: MgFe20, T = 500 C
_database_code_amcsd 0004022
8.1482 8.1482 8.1482 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
MgT    .125   .125   .125  .722 .0101
AlT    .125   .125   .125  .190 .0101
FeT    .125   .125   .125  .088 .0101
AlM      .5     .5     .5  .805 .0113
MgM      .5     .5     .5 .1375 .0113
FeM      .5     .5     .5  .056 .0113
O    .26171 .26171 .26171       .0141
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Spinel
Download hom/spinel.pdf
Martignago F, Andreozzi G B, Dal Negro A
Download am/vol91/AM91_306.pdf
American Mineralogist 91 (2006) 306-312
Thermodynamics and kinetics of cation ordering in natural and synthetic
Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
Locality: synthetic
Sample: MgFe20, T = 550 C
_database_code_amcsd 0004023
8.1520 8.1520 8.1520 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
MgT    .125   .125   .125  .725 .0107
AlT    .125   .125   .125  .182 .0107
FeT    .125   .125   .125  .093 .0107
AlM      .5     .5     .5 .8095 .0119
MgM      .5     .5     .5  .137 .0119
FeM      .5     .5     .5  .053 .0119
O    .26179 .26179 .26179       .0145
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Spinel
Download hom/spinel.pdf
Martignago F, Andreozzi G B, Dal Negro A
Download am/vol91/AM91_306.pdf
American Mineralogist 91 (2006) 306-312
Thermodynamics and kinetics of cation ordering in natural and synthetic
Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
Locality: synthetic
Sample: MgFe20, T = 600 C
_database_code_amcsd 0004024
8.1564 8.1564 8.1564 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
MgT    .125   .125   .125  .729 .0115
AlT    .125   .125   .125  .193 .0115
FeT    .125   .125   .125  .079 .0115
AlM      .5     .5     .5  .804 .0125
MgM      .5     .5     .5 .1355 .0125
FeM      .5     .5     .5 .0605 .0125
O    .26173 .26173 .26173       .0156
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Spinel
Download hom/spinel.pdf
Martignago F, Andreozzi G B, Dal Negro A
Download am/vol91/AM91_306.pdf
American Mineralogist 91 (2006) 306-312
Thermodynamics and kinetics of cation ordering in natural and synthetic
Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
Locality: synthetic
Sample: MgFe20, T = 650 C
_database_code_amcsd 0004025
8.1606 8.1606 8.1606 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
MgT    .125   .125   .125  .732 .0118
AlT    .125   .125   .125  .187 .0118
FeT    .125   .125   .125  .081 .0118
AlM      .5     .5     .5  .807 .0124
MgM      .5     .5     .5 .1335 .0124
FeM      .5     .5     .5 .0595 .0124
O    .26179 .26179 .26179       .0155
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Spinel
Download hom/spinel.pdf
Martignago F, Andreozzi G B, Dal Negro A
Download am/vol91/AM91_306.pdf
American Mineralogist 91 (2006) 306-312
Thermodynamics and kinetics of cation ordering in natural and synthetic
Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
Locality: synthetic
Sample: MgFe20, T = 700 C
_database_code_amcsd 0004026
8.1643 8.1643 8.1643 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
MgT    .125   .125   .125  .710 .0131
AlT    .125   .125   .125  .197 .0131
FeT    .125   .125   .125  .094 .0131
AlM      .5     .5     .5 .8005 .0140
MgM      .5     .5     .5  .146 .0140
FeM      .5     .5     .5 .0535 .0140
O    .26161 .26161 .26161       .0167
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Spinel
Download hom/spinel.pdf
Martignago F, Andreozzi G B, Dal Negro A
Download am/vol91/AM91_306.pdf
American Mineralogist 91 (2006) 306-312
Thermodynamics and kinetics of cation ordering in natural and synthetic
Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
Locality: synthetic
Sample: MgFe20, T = 800 C
_database_code_amcsd 0004027
8.1721 8.1721 8.1721 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
MgT    .125   .125   .125 .700 .0145
AlT    .125   .125   .125 .212 .0145
FeT    .125   .125   .125 .089 .0145
AlM      .5     .5     .5 .793 .0158
MgM      .5     .5     .5 .151 .0158
FeM      .5     .5     .5 .056 .0158
O    .26143 .26143 .26143      .0189
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Spinel
Download hom/spinel.pdf
Martignago F, Andreozzi G B, Dal Negro A
Download am/vol91/AM91_306.pdf
American Mineralogist 91 (2006) 306-312
Thermodynamics and kinetics of cation ordering in natural and synthetic
Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
Locality: synthetic
Sample: MgFe20, T = 900 C
_database_code_amcsd 0004028
8.1800 8.1800 8.1800 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
MgT    .125   .125   .125  .685 .0158
AlT    .125   .125   .125  .229 .0158
FeT    .125   .125   .125  .087 .0158
AlM      .5     .5     .5  .784 .0169
MgM      .5     .5     .5 .1585 .0169
FeM      .5     .5     .5 .0575 .0169
O    .26117 .26117 .26117       .0202
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Spinel
Download hom/spinel.pdf
Martignago F, Andreozzi G B, Dal Negro A
Download am/vol91/AM91_306.pdf
American Mineralogist 91 (2006) 306-312
Thermodynamics and kinetics of cation ordering in natural and synthetic
Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
Locality: synthetic
Sample: MgFe20, T = 1000 C
_database_code_amcsd 0004029
8.1871 8.1871 8.1871 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
MgT    .125   .125   .125  .673 .0177
AlT    .125   .125   .125  .229 .0177
FeT    .125   .125   .125  .098 .0177
AlM      .5     .5     .5  .784 .0182
MgM      .5     .5     .5 .1645 .0182
FeM      .5     .5     .5 .0515 .0182
O    .26110 .26110 .26110       .0218
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Spinel
Download hom/spinel.pdf
Martignago F, Andreozzi G B, Dal Negro A
Download am/vol91/AM91_306.pdf
American Mineralogist 91 (2006) 306-312
Thermodynamics and kinetics of cation ordering in natural and synthetic
Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
Locality: synthetic
Sample: MgFe20, T = 1050 C
_database_code_amcsd 0004030
8.1898 8.1898 8.1898 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
MgT    .125   .125   .125  .672 .0180
AlT    .125   .125   .125  .244 .0180
FeT    .125   .125   .125  .084 .0180
AlM      .5     .5     .5 .7765 .0187
MgM      .5     .5     .5  .165 .0187
FeM      .5     .5     .5 .0585 .0187
O    .26102 .26102 .26102       .0230
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Spinel
Download hom/spinel.pdf
Martignago F, Andreozzi G B, Dal Negro A
Download am/vol91/AM91_306.pdf
American Mineralogist 91 (2006) 306-312
Thermodynamics and kinetics of cation ordering in natural and synthetic
Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
Locality: synthetic
Sample: MgFe14, T = 25 C
_database_code_amcsd 0004031
8.1082 8.1082 8.1082 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
MgT    .125   .125   .125  .731 .0033
AlT    .125   .125   .125  .207 .0033
FeT    .125   .125   .125  .061 .0033
AlM      .5     .5     .5  .819 .0041
MgM      .5     .5     .5 .1415 .0041
FeM      .5     .5     .5 .0395 .0041
O    .26174 .26174 .26174       .0072
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Spinel
Download hom/spinel.pdf
Martignago F, Andreozzi G B, Dal Negro A
Download am/vol91/AM91_306.pdf
American Mineralogist 91 (2006) 306-312
Thermodynamics and kinetics of cation ordering in natural and synthetic
Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
Locality: synthetic
Sample: MgFe14, T = 200 C
_database_code_amcsd 0004032
8.1184 8.1184 8.1184 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
MgT    .125   .125   .125  .732 .0055
AlT    .125   .125   .125  .205 .0055
FeT    .125   .125   .125  .062 .0055
AlM      .5     .5     .5 .8195 .0058
MgM      .5     .5     .5  .140 .0058
FeM      .5     .5     .5 .0405 .0058
O    .26177 .26177 .26177       .0088
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Spinel
Download hom/spinel.pdf
Martignago F, Andreozzi G B, Dal Negro A
Download am/vol91/AM91_306.pdf
American Mineralogist 91 (2006) 306-312
Thermodynamics and kinetics of cation ordering in natural and synthetic
Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
Locality: synthetic
Sample: MgFe14, T = 400 C
_database_code_amcsd 0004033
8.1328 8.1328 8.1328 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
MgT    .125   .125   .125  .728 .0082
AlT    .125   .125   .125  .206 .0082
FeT    .125   .125   .125  .065 .0082
AlM      .5     .5     .5  .819 .0080
MgM      .5     .5     .5  .142 .0080
FeM      .5     .5     .5 .0385 .0080
O    .26178 .26178 .26178       .0109
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Spinel
Download hom/spinel.pdf
Martignago F, Andreozzi G B, Dal Negro A
Download am/vol91/AM91_306.pdf
American Mineralogist 91 (2006) 306-312
Thermodynamics and kinetics of cation ordering in natural and synthetic
Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
Locality: synthetic
Sample: MgFe14, T = 450 C
_database_code_amcsd 0004034
8.1365 8.1365 8.1365 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
MgT    .125   .125   .125  .734 .0085
AlT    .125   .125   .125  .207 .0085
FeT    .125   .125   .125  .058 .0085
AlM      .5     .5     .5 .8185 .0084
MgM      .5     .5     .5 .1395 .0084
FeM      .5     .5     .5  .042 .0084
O    .26176 .26176 .26176       .0119
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Total number of retrieved datasets: 165
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Number of datasets in this page:100
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