American Mineralogist Crystal Structure Database

105 matching records for this search.

Forsterite
Download hom/forsterite.pdf
Ottonello G, Della Giusta A, Molin G M
Download am/vol74/AM74_411.pdf
American Mineralogist 74 (1989) 411-421
Cation ordering in Ni-Mg olivines
sample Ni.30B, synthesized at 902 C, then quenched
Mg1.4Ni.6SiO4
_database_code_amcsd 0001216
4.7458 10.1986 5.9563 90 90 90 Pbnm
atom     x     y     z  occ Biso
Mg1      0     0     0 .468 0.57
Ni1      0     0     0 .532 0.57
Mg2  .9900 .2761   .25 .932 0.62
Ni2  .9900 .2761   .25 .068 0.62
Si   .4257 .0936   .25      0.51
O1   .7660 .0924   .25      0.59
O2   .2202 .4461   .25      0.58
O3   .2763 .1626 .0326      0.62
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Forsterite
Download hom/forsterite.pdf
Ottonello G, Della Giusta A, Molin G M
Download am/vol74/AM74_411.pdf
American Mineralogist 74 (1989) 411-421
Cation ordering in Ni-Mg olivines
sample Ni.30B, heated at 1150 C, then quenched
Mg1.4Ni.6SiO4
_database_code_amcsd 0001217
4.7453 10.1926 5.9559 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .495 0.50
Mg1      0     0     0 .505 0.50
Ni2  .9908 .2760   .25 .121 0.56
Mg2  .9908 .2760   .25 .879 0.56
Si   .4257 .0936   .25      0.43
O1   .7673 .0924   .25      0.55
O2   .2198 .4463   .25      0.53
O3   .2767 .1628 .0324      0.56
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Forsterite
Download hom/forsterite.pdf
Ottonello G, Della Giusta A, Molin G M
Download am/vol74/AM74_411.pdf
American Mineralogist 74 (1989) 411-421
Cation ordering in Ni-Mg olivines
sample Ni.30B, heated at 1300 C, then quenched
Mg1.4Ni.6SiO4
_database_code_amcsd 0001218
4.7452 10.1909 5.9583 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .478 0.61
Mg1      0     0     0 .522 0.61
Ni2  .9909 .2760   .25 .139 0.67
Mg2  .9909 .2760   .25 .861 0.67
Si   .4262 .0936   .25      0.54
O1   .7666 .0924   .25      0.56
O2   .2199 .4463   .25      0.59
O3   .2765 .1627 .0322      0.65
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Forsterite
Download hom/forsterite.pdf
Ottonello G, Della Giusta A, Molin G M
Download am/vol74/AM74_411.pdf
American Mineralogist 74 (1989) 411-421
Cation ordering in Ni-Mg olivines
sample Ni.30A, synthesized at 902 C, then quenched
Mg1.4Ni.6SiO4
_database_code_amcsd 0001219
4.7466 10.2003 5.9556 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .533 0.60
Mg1      0     0     0 .467 0.60
Ni2  .9904 .2762   .25 .065 0.64
Mg2  .9904 .2762   .25 .935 0.64
Si   .4258 .0936   .25      0.53
O1   .7669 .0925   .25      0.62
O2   .2196 .4464   .25      0.63
O3   .2765 .1626 .0323      0.66
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Forsterite
Download hom/forsterite.pdf
Ottonello G, Della Giusta A, Molin G M
Download am/vol74/AM74_411.pdf
American Mineralogist 74 (1989) 411-421
Cation ordering in Ni-Mg olivines
sample Ni.30A, heated to 800 C, then quenched
Mg1.4Ni.6SiO4
_database_code_amcsd 0001220
4.7459 10.1950 5.9559 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .508 0.65
Mg1      0     0     0 .492 0.65
Ni2  .9906 .2760   .25 .089 0.70
Mg2  .9906 .2760   .25 .911 0.79
Si   .4261 .0936   .25      0.59
O1   .7667 .0927   .25      0.66
O2   .2210 .4462   .25      0.71
O3   .2760 .1628 .0321      0.73
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Liebenbergite
Download hom/liebenbergite.pdf
Ottonello G, Della Giusta A, Molin G M
Download am/vol74/AM74_411.pdf
American Mineralogist 74 (1989) 411-421
Cation ordering in Ni-Mg olivines
sample Ni.51, synthesized at 890 C, then quenched
MgNiSiO4
_database_code_amcsd 0001221
4.7392 10.1939 5.9432 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .788 0.51
Mg1      0     0     0 .212 0.51
Ni2  .9901 .2751   .25 .246 0.59
Mg2  .9901 .2751   .25 .754 0.59
Si   .4252 .0936   .25      0.47
O1   .7670 .0929   .25      0.59
O2   .2186 .4455   .25      0.54
O3   .2762 .1627 .0324      0.59
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Liebenbergite
Download hom/liebenbergite.pdf
Ottonello G, Della Giusta A, Molin G M
Download am/vol74/AM74_411.pdf
American Mineralogist 74 (1989) 411-421
Cation ordering in Ni-Mg olivines
sample Ni.51, heated to 1150 C, then quenched
MgNiSiO4
_database_code_amcsd 0001222
4.7431 10.1765 5.9401 90 90 90 Pbnm
atom     x     y     z occ Biso
Mg1      0     0     0 .29 0.51
Ni1      0     0     0 .71 0.51
Ni2  .9913 .2751   .25 .32 0.52
Mg2  .9913 .2751   .25 .68 0.52
Si   .4265 .0936   .25     0.47
O1   .7685 .0929   .25     0.51
O2   .2200 .4462   .25     0.56
O3   .2745 .1626 .0326     0.63
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Liebenbergite
Download hom/liebenbergite.pdf
Ottonello G, Della Giusta A, Molin G M
Download am/vol74/AM74_411.pdf
American Mineralogist 74 (1989) 411-421
Cation ordering in Ni-Mg olivines
sample Ni.51, heated to 1300 C, then quenched
MgNiSiO4
_database_code_amcsd 0001223
4.7398 10.1773 5.9443 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .705 0.64
Mg1      0     0     0 .295 0.64
Ni2  .9911 .2752   .25 .294 0.67
Mg2  .9911 .2752   .25 .706 0.67
Si   .4262 .0936   .25      0.57
O1   .7669 .0926   .25      0.74
O2   .2194 .4462   .25      0.66
O3   .2765 .1622 .0320      0.70
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Liebenbergite
Download hom/liebenbergite.pdf
Ottonello G, Della Giusta A, Molin G M
Download am/vol74/AM74_411.pdf
American Mineralogist 74 (1989) 411-421
Cation ordering in Ni-Mg olivines
sample Ni.63, synthesized at 900 C, then quenched
Mg.634Ni1.363SiO4
_database_code_amcsd 0001224
4.7393 10.1620 5.9330 90 90 90 Pbnm
atom     x     y     z occ Biso
Ni1      0     0     0 .87 0.54
Mg1      0     0     0 .13 0.54
Ni2  .9912 .2748   .25 .47 0.57
Mg2  .9912 .2748   .25 .53 0.57
Si   .4259 .0930   .25     0.51
O1   .7692 .0930   .25     0.62
O2   .2174 .4454   .25     0.60
O3   .2760 .1629 .0319     0.73
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Liebenbergite
Download hom/liebenbergite.pdf
Ottonello G, Della Giusta A, Molin G M
Download am/vol74/AM74_411.pdf
American Mineralogist 74 (1989) 411-421
Cation ordering in Ni-Mg olivines
sample Ni.63, heated to 800 C, then quenched
Mg.634Ni1.363SiO4
_database_code_amcsd 0001225
4.7345 10.1623 5.9317 90 90 90 Pbnm
atom     x     y     z occ Biso
Ni1      0     0     0 .88 0.34
Mg1      0     0     0 .12 0.34
Ni2  .9917 .2744   .25 .50 0.39
Mg2  .9917 .2744   .25 .50 0.39
Si   .4266 .0937   .25     0.35
O1   .7677 .0936   .25     0.37
O2   .2194 .4455   .25     0.41
O3   .2735 .1626 .0314     0.41
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Liebenbergite
Download hom/liebenbergite.pdf
Ottonello G, Della Giusta A, Molin G M
Download am/vol74/AM74_411.pdf
American Mineralogist 74 (1989) 411-421
Cation ordering in Ni-Mg olivines
sample Ni.63, heated to 1150 C, then quenched
Mg.634Ni1.363SiO4
_database_code_amcsd 0001226
4.7370 10.1616 5.9337 90 90 90 Pbnm
atom     x     y     z  occ Biso
Ni1      0     0     0 .864 0.54
Mg1      0     0     0 .136 0.54
Ni2  .9916 .2744   .25 .535 0.56
Mg2  .9916 .2744   .25 .465 0.56
Si   .4266 .0938   .25      0.50
O1   .7679 .0931   .25      0.59
O2   .2178 .4454   .25      0.57
O3   .2745 .1626 .0312      0.62
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Liebenbergite
Download hom/liebenbergite.pdf
Ottonello G, Della Giusta A, Molin G M
Download am/vol74/AM74_411.pdf
American Mineralogist 74 (1989) 411-421
Cation ordering in Ni-Mg olivines
sample Ni.75, synthesized at 910 C, then quenched
Mg.505Ni1.492SiO4
_database_code_amcsd 0001227
4.7339 10.1583 5.9303 90 90 90 Pbnm
atom     x     y     z occ Biso
Ni1      0     0     0 .95 0.55
Mg1      0     0     0 .05 0.55
Ni2  .9919 .2742   .25 .60 0.60
Mg2  .9919 .2742   .25 .40 0.60
Si   .4266 .0938   .25     0.52
O1   .7669 .0932   .25     0.58
O2   .2189 .4451   .25     0.61
O3   .2744 .1627 .0315     0.58
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Liebenbergite
Download hom/liebenbergite.pdf
Ottonello G, Della Giusta A, Molin G M
Download am/vol74/AM74_411.pdf
American Mineralogist 74 (1989) 411-421
Cation ordering in Ni-Mg olivines
sample Ni.75, heated to 1150 C, then quenched
Mg.505Ni1.492SiO4
_database_code_amcsd 0001228
4.7350 10.1526 5.9278 90 90 90 Pbnm
atom     x     y     z occ Biso
Ni1      0     0     0 .87 0.43
Mg1      0     0     0 .13 0.43
Ni2  .9918 .2745   .25 .59 0.45
Mg2  .9918 .2745   .25 .41 0.45
Si   .4267 .0938   .25     0.46
O1   .7684 .0929   .25     0.47
O2   .2198 .4449   .25     0.57
O3   .2750 .1630 .0319     0.52
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: 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
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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
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Manganochromite
Download hom/manganochromite.pdf
Lucchesi S, Russo U, Della Giusta A
 
European Journal of Mineralogy 9 (1997) 31-42
Crystal chemistry and cation distribution in some
Mn-rich natural and synthetic spinels
Sample: SPN255
_database_code_amcsd 0006637
8.4466 8.4466 8.4466 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
MnT    .125   .125   .125       .0083
MnM      .5     .5     .5 .0965 .0068
CrM      .5     .5     .5 .9035 .0068
O    .26414 .26414 .26414       .0085
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Jacobsite
Download hom/jacobsite.pdf
Lucchesi S, Russo U, Della Giusta A
 
European Journal of Mineralogy 9 (1997) 31-42
Crystal chemistry and cation distribution in some
Mn-rich natural and synthetic spinels
Sample: JBS1
_database_code_amcsd 0006638
8.4075 8.4075 8.4075 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
MgT    .125   .125   .125 .0550 .0057
MnT    .125   .125   .125 .2386 .0057
FeT    .125   .125   .125 .6890 .0057
ZnT    .125   .125   .125 .0173 .0057
MgM      .5     .5     .5 .3407 .0058
AlM      .5     .5     .5 .0244 .0058
FeM      .5     .5     .5 .6112 .0058
MnM      .5     .5     .5 .0228 .0058
O    .25764 .25764 .25764       .0089
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Jacobsite
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Lucchesi S, Russo U, Della Giusta A
 
European Journal of Mineralogy 9 (1997) 31-42
Crystal chemistry and cation distribution in some
Mn-rich natural and synthetic spinels
Sample: JBS3
_database_code_amcsd 0006639
8.4454 8.4454 8.4454 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
MgT    .125   .125   .125 .0256 .0089
MnT    .125   .125   .125 .3968 .0089
FeT    .125   .125   .125 .5706 .0089
ZnT    .125   .125   .125 .0059 .0089
MgM      .5     .5     .5 .2247 .0094
FeM      .5     .5     .5 .7486 .0094
MnM      .5     .5     .5 .0247 .0094
TiM      .5     .5     .5  .001 .0094
O    .25864 .25864 .25864       .0114
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Jacobsite
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Lucchesi S, Russo U, Della Giusta A
 
European Journal of Mineralogy 9 (1997) 31-42
Crystal chemistry and cation distribution in some
Mn-rich natural and synthetic spinels
Sample: JBS4
_database_code_amcsd 0006640
8.4956 8.4956 8.4956 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
MgT    .125   .125   .125 .0518 .0109
MnT    .125   .125   .125 .7030 .0109
FeT    .125   .125   .125 .2392 .0109
ZnT    .125   .125   .125 .0068 .0109
MgM      .5     .5     .5 .0385 .0105
AlM      .5     .5     .5 .0148 .0105
FeM      .5     .5     .5 .8823 .0105
MnM      .5     .5     .5 .0646 .0105
O    .26100 .26100 .26100       .0121
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Franklinite
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Lucchesi S, Russo U, Della Giusta A
 
European Journal of Mineralogy 9 (1997) 31-42
Crystal chemistry and cation distribution in some
Mn-rich natural and synthetic spinels
Sample: FRK1b
_database_code_amcsd 0006641
8.4576 8.4576 8.4576 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
MnT    .125   .125   .125 .2988 .0092
FeT    .125   .125   .125 .4049 .0092
ZnT    .125   .125   .125 .2977 .0092
MgM      .5     .5     .5 .0095 .0093
AlM      .5     .5     .5 .0283 .0093
FeM      .5     .5     .5 .9304 .0093
MnM      .5     .5     .5 .0199 .0093
TiM      .5     .5     .5 .0125 .0093
O    .26139 .26139 .26139       .0100
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Galaxite
Download hom/galaxite.pdf
Lucchesi S, Russo U, Della Giusta A
 
European Journal of Mineralogy 9 (1997) 31-42
Crystal chemistry and cation distribution in some
Mn-rich natural and synthetic spinels
Sample: SPN258
_database_code_amcsd 0006642
8.2226 8.2226 8.2226 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
MgT    .125   .125   .125 .1173 .0066
AlT    .125   .125   .125 .0161 .0066
MnT    .125   .125   .125 .6633 .0066
FeT    .125   .125   .125 .2033 .0066
MgM      .5     .5     .5 .0123 .0057
AlM      .5     .5     .5 .8783 .0057
FeM      .5     .5     .5 .0335 .0057
MnM      .5     .5     .5 .0759 .0057
O    .26521 .26521 .26521       .0088
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Spinel
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Lucchesi S, Amoriello M, Della Giusta A
 
European Journal of Mineralogy 10 (1998) 473-482
Crystal chemistry of spinels from xenoliths of the
Alban Hills volcanic region
Sample: SP46c
Locality: xenoliths of the Alban Hills, Italy volcanic region
_database_code_amcsd 0006730
8.1115 8.1115 8.1115 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z    occ  Uiso
MgT    .125   .125   .125  .6375 .0057
FeT    .125   .125   .125  .1636 .0057
ZnT    .125   .125   .125  .0012 .0057
MnT    .125   .125   .125  .0052 .0057
AlT    .125   .125   .125  .1917 .0057
SiT    .125   .125   .125  .0007 .0057
MgM      .5     .5     .5  .1245 .0044
FeM      .5     .5     .5  .0305 .0044
NiM      .5     .5     .5 .00005 .0044
AlM      .5     .5     .5 .84425 .0044
CrM      .5     .5     .5  .0001 .0044
TiM      .5     .5     .5 .00025 .0044
O    .26208 .26208 .26208        .0085
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Spinel
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Lucchesi S, Amoriello M, Della Giusta A
 
European Journal of Mineralogy 10 (1998) 473-482
Crystal chemistry of spinels from xenoliths of the
Alban Hills volcanic region
Sample: SP46g
Locality: xenoliths of the Alban Hills, Italy volcanic region
_database_code_amcsd 0006731
8.1103 8.1103 8.1103 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z    occ  Uiso
MgT    .125   .125   .125  .6245 .0044
FeT    .125   .125   .125   .172 .0044
ZnT    .125   .125   .125  .0021 .0044
MnT    .125   .125   .125  .0055 .0044
AlT    .125   .125   .125  .1952 .0044
SiT    .125   .125   .125  .0006 .0044
MgM      .5     .5     .5 .12075 .0028
FeM      .5     .5     .5 .02755 .0028
AlM      .5     .5     .5   .851 .0028
CrM      .5     .5     .5  .0002 .0028
TiM      .5     .5     .5  .0002 .0028
O    .26216 .26216 .26216        .0068
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Spinel
Download hom/spinel.pdf
Lucchesi S, Amoriello M, Della Giusta A
 
European Journal of Mineralogy 10 (1998) 473-482
Crystal chemistry of spinels from xenoliths of the
Alban Hills volcanic region
Sample: SP178c
Locality: xenoliths of the Alban Hills, Italy volcanic region
_database_code_amcsd 0006732
8.1088 8.1088 8.1088 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z    occ  Uiso
MgT    .125   .125   .125  .6558 .0049
FeT    .125   .125   .125  .1388 .0049
ZnT    .125   .125   .125  .0069 .0049
MnT    .125   .125   .125  .0056 .0049
AlT    .125   .125   .125  .1918 .0049
SiT    .125   .125   .125  .0008 .0049
MgM      .5     .5     .5  .1239 .0037
FeM      .5     .5     .5  .0267 .0037
NiM      .5     .5     .5  .0001 .0037
AlM      .5     .5     .5 .84875 .0037
CrM      .5     .5     .5  .0002 .0037
O    .26199 .26199 .26199        .0079
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Spinel
Download hom/spinel.pdf
Lucchesi S, Amoriello M, Della Giusta A
 
European Journal of Mineralogy 10 (1998) 473-482
Crystal chemistry of spinels from xenoliths of the
Alban Hills volcanic region
Sample: SP182b
Locality: xenoliths of the Alban Hills, Italy volcanic region
_database_code_amcsd 0006733
8.1011 8.1011 8.1011 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z    occ  Uiso
MgT    .125   .125   .125  .6540 .0053
FeT    .125   .125   .125  .1253 .0053
ZnT    .125   .125   .125  .0099 .0053
MnT    .125   .125   .125  .0098 .0053
AlT    .125   .125   .125  .2008 .0053
SiT    .125   .125   .125  .0001 .0053
MgM      .5     .5     .5 .12045 .0039
FeM      .5     .5     .5 .00805 .0039
NiM      .5     .5     .5 .00035 .0039
AlM      .5     .5     .5 .87075 .0039
CrM      .5     .5     .5  .0002 .0039
O    .26219 .26219 .26219        .0077
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Spinel
Download hom/spinel.pdf
Lucchesi S, Amoriello M, Della Giusta A
 
European Journal of Mineralogy 10 (1998) 473-482
Crystal chemistry of spinels from xenoliths of the
Alban Hills volcanic region
Sample: SP182f
Locality: xenoliths of the Alban Hills, Italy volcanic region
_database_code_amcsd 0006734
8.0991 8.0991 8.0991 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z    occ  Uiso
MgT    .125   .125   .125  .6604 .0056
FeT    .125   .125   .125  .1129 .0056
ZnT    .125   .125   .125  .0071 .0056
MnT    .125   .125   .125   .009 .0056
AlT    .125   .125   .125  .2103 .0056
SiT    .125   .125   .125  .0001 .0056
MgM      .5     .5     .5  .1207 .0043
FeM      .5     .5     .5  .0078 .0043
AlM      .5     .5     .5 .87095 .0043
CrM      .5     .5     .5  .0001 .0043
TiM      .5     .5     .5 .00005 .0043
O    .26213 .26213 .26213        .0082
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Spinel
Download hom/spinel.pdf
Lucchesi S, Amoriello M, Della Giusta A
 
European Journal of Mineralogy 10 (1998) 473-482
Crystal chemistry of spinels from xenoliths of the
Alban Hills volcanic region
Sample: SP210d
Locality: xenoliths of the Alban Hills, Italy volcanic region
_database_code_amcsd 0006735
8.1061 8.1061 8.1061 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z    occ  Uiso
MgT    .125   .125   .125  .6647 .0050
FeT    .125   .125   .125  .1221 .0050
ZnT    .125   .125   .125  .0032 .0050
MnT    .125   .125   .125  .0046 .0050
AlT    .125   .125   .125  .2045 .0050
SiT    .125   .125   .125  .0007 .0050
MgM      .5     .5     .5 .13095 .0039
FeM      .5     .5     .5  .0223 .0039
NiM      .5     .5     .5 .00005 .0039
AlM      .5     .5     .5  .8458 .0039
CrM      .5     .5     .5 .00005 .0039
TiM      .5     .5     .5  .0004 .0039
O    .26189 .26189 .26189        .0081
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Spinel
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Lucchesi S, Amoriello M, Della Giusta A
 
European Journal of Mineralogy 10 (1998) 473-482
Crystal chemistry of spinels from xenoliths of the
Alban Hills volcanic region
Sample: SP238a
Locality: xenoliths of the Alban Hills, Italy volcanic region
_database_code_amcsd 0006736
8.0996 8.0996 8.0996 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z    occ  Uiso
MgT    .125   .125   .125  .6832 .0048
FeT    .125   .125   .125  .0967 .0048
ZnT    .125   .125   .125  .0039 .0048
MnT    .125   .125   .125   .006 .0048
AlT    .125   .125   .125  .2096 .0048
SiT    .125   .125   .125  .0006 .0048
MgM      .5     .5     .5  .1256 .0038
FeM      .5     .5     .5 .01095 .0038
AlM      .5     .5     .5 .86295 .0038
O    .26200 .26200 .26200        .0078
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Spinel
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Lucchesi S, Amoriello M, Della Giusta A
 
European Journal of Mineralogy 10 (1998) 473-482
Crystal chemistry of spinels from xenoliths of the
Alban Hills volcanic region
Sample: SP239a
Locality: xenoliths of the Alban Hills, Italy volcanic region
_database_code_amcsd 0006737
8.1041 8.1041 8.1041 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z    occ  Uiso
MgT    .125   .125   .125  .6826 .0052
FeT    .125   .125   .125  .0902 .0052
MnT    .125   .125   .125  .0028 .0052
AlT    .125   .125   .125  .2242 .0052
MgM      .5     .5     .5  .1401 .0043
FeM      .5     .5     .5 .01705 .0043
AlM      .5     .5     .5 .83815 .0043
TiM      .5     .5     .5  .0042 .0043
O    .26164 .26164 .26164        .0088
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Spinel
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Lucchesi S, Amoriello M, Della Giusta A
 
European Journal of Mineralogy 10 (1998) 473-482
Crystal chemistry of spinels from xenoliths of the
Alban Hills volcanic region
Sample: SP239b
Locality: xenoliths of the Alban Hills, Italy volcanic region
_database_code_amcsd 0006738
8.1057 8.1057 8.1057 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z    occ  Uiso
MgT    .125   .125   .125  .6883 .0051
FeT    .125   .125   .125   .093 .0051
ZnT    .125   .125   .125  .0013 .0051
MnT    .125   .125   .125  .0028 .0051
AlT    .125   .125   .125  .2116 .0051
SiT    .125   .125   .125  .0028 .0051
MgM      .5     .5     .5 .13945 .0038
FeM      .5     .5     .5  .0156 .0038
AlM      .5     .5     .5  .8383 .0038
TiM      .5     .5     .5 .00605 .0038
O    .26172 .26172 .26172        .0082
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Spinel
Download hom/spinel.pdf
Lucchesi S, Amoriello M, Della Giusta A
 
European Journal of Mineralogy 10 (1998) 473-482
Crystal chemistry of spinels from xenoliths of the
Alban Hills volcanic region
Sample: SP239h
Locality: xenoliths of the Alban Hills, Italy volcanic region
_database_code_amcsd 0006739
8.1067 8.1067 8.1067 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z    occ  Uiso
MgT    .125   .125   .125  .6789 .0056
FeT    .125   .125   .125  .1026 .0056
ZnT    .125   .125   .125   .001 .0056
MnT    .125   .125   .125  .0031 .0056
AlT    .125   .125   .125  .2088 .0056
SiT    .125   .125   .125  .0054 .0056
MgM      .5     .5     .5 .13955 .0046
FeM      .5     .5     .5 .01455 .0046
NiM      .5     .5     .5 .00035 .0046
AlM      .5     .5     .5  .8384 .0046
TiM      .5     .5     .5  .0067 .0046
O    .26173 .26173 .26173        .0092
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Spinel
Download hom/spinel.pdf
Lucchesi S, Amoriello M, Della Giusta A
 
European Journal of Mineralogy 10 (1998) 473-482
Crystal chemistry of spinels from xenoliths of the
Alban Hills volcanic region
Sample: SP263b
Locality: xenoliths of the Alban Hills, Italy volcanic region
_database_code_amcsd 0006740
8.1093 8.1093 8.1093 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
MgT    .125   .125   .125 .6213 .0057
FeT    .125   .125   .125  .163 .0057
ZnT    .125   .125   .125 .0039 .0057
MnT    .125   .125   .125 .0099 .0057
AlT    .125   .125   .125 .2012 .0057
SiT    .125   .125   .125 .0005 .0057
MgM      .5     .5     .5 .1266 .0043
FeM      .5     .5     .5 .0253 .0043
AlM      .5     .5     .5 .8472 .0043
CrM      .5     .5     .5 .0003 .0043
TiM      .5     .5     .5 .0002 .0043
O    .26204 .26204 .26204       .0085
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Spinel
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Lucchesi S, Amoriello M, Della Giusta A
 
European Journal of Mineralogy 10 (1998) 473-482
Crystal chemistry of spinels from xenoliths of the
Alban Hills volcanic region
Sample: SP263v
Locality: xenoliths of the Alban Hills, Italy volcanic region
_database_code_amcsd 0006741
8.1111 8.1111 8.1111 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z    occ  Uiso
MgT    .125   .125   .125  .6322 .0078
FeT    .125   .125   .125  .1584 .0078
ZnT    .125   .125   .125  .0031 .0078
MnT    .125   .125   .125  .0088 .0078
AlT    .125   .125   .125  .1967 .0078
SiT    .125   .125   .125  .0005 .0078
MgM      .5     .5     .5  .1252 .0066
FeM      .5     .5     .5  .0305 .0066
AlM      .5     .5     .5  .8436 .0066
CrM      .5     .5     .5 .00035 .0066
O    .26199 .26199 .26199        .0107
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Spinel
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Lucchesi S, Amoriello M, Della Giusta A
 
European Journal of Mineralogy 10 (1998) 473-482
Crystal chemistry of spinels from xenoliths of the
Alban Hills volcanic region
Sample: SP264h
Locality: xenoliths of the Alban Hills, Italy volcanic region
_database_code_amcsd 0006742
8.1130 8.1130 8.1130 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z    occ  Uiso
MgT    .125   .125   .125  .6017 .0060
FeT    .125   .125   .125  .1742 .0060
ZnT    .125   .125   .125  .0078 .0060
MnT    .125   .125   .125  .0193 .0060
AlT    .125   .125   .125  .1912 .0060
SiT    .125   .125   .125  .0003 .0060
MgM      .5     .5     .5  .1215 .0043
FeM      .5     .5     .5 .03025 .0043
AlM      .5     .5     .5  .8475 .0043
CrM      .5     .5     .5 .00045 .0043
O    .26220 .26220 .26220        .0082
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Spinel
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Lucchesi S, Amoriello M, Della Giusta A
 
European Journal of Mineralogy 10 (1998) 473-482
Crystal chemistry of spinels from xenoliths of the
Alban Hills volcanic region
Sample: SP264i
Locality: xenoliths of the Alban Hills, Italy volcanic region
_database_code_amcsd 0006743
8.1141 8.1141 8.1141 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z    occ  Uiso
MgT    .125   .125   .125  .6059 .0058
FeT    .125   .125   .125  .1856 .0058
ZnT    .125   .125   .125  .0058 .0058
MnT    .125   .125   .125  .0182 .0058
AlT    .125   .125   .125  .1839 .0058
SiT    .125   .125   .125  .0005 .0058
MgM      .5     .5     .5  .1184 .0041
FeM      .5     .5     .5 .03625 .0041
AlM      .5     .5     .5 .84485 .0041
O    .26228 .26228 .26228        .0081
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Spinel
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Lucchesi S, Amoriello M, Della Giusta A
 
European Journal of Mineralogy 10 (1998) 473-482
Crystal chemistry of spinels from xenoliths of the
Alban Hills volcanic region
Sample: SP264m
Locality: xenoliths of the Alban Hills, Italy volcanic region
_database_code_amcsd 0006744
8.1150 8.1150 8.1150 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z    occ  Uiso
MgT    .125   .125   .125  .5843 .0055
FeT    .125   .125   .125  .1982 .0055
ZnT    .125   .125   .125  .0026 .0055
MnT    .125   .125   .125  .0165 .0055
AlT    .125   .125   .125  .1974 .0055
SiT    .125   .125   .125  .0008 .0055
MgM      .5     .5     .5  .1256 .0040
FeM      .5     .5     .5  .0338 .0040
AlM      .5     .5     .5  .8402 .0040
TiM      .5     .5     .5 .00015 .0040
O    .26207 .26207 .26207        .0083
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Spinel
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Lucchesi S, Amoriello M, Della Giusta A
 
European Journal of Mineralogy 10 (1998) 473-482
Crystal chemistry of spinels from xenoliths of the
Alban Hills volcanic region
Sample: SP265e
Locality: xenoliths of the Alban Hills, Italy volcanic region
_database_code_amcsd 0006745
8.1085 8.1085 8.1085 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z    occ  Uiso
MgT    .125   .125   .125  .6619 .0054
FeT    .125   .125   .125  .1365 .0054
ZnT    .125   .125   .125  .0021 .0054
MnT    .125   .125   .125  .0057 .0054
AlT    .125   .125   .125  .1931 .0054
SiT    .125   .125   .125  .0005 .0054
MgM      .5     .5     .5 .12775 .0039
FeM      .5     .5     .5 .02295 .0039
AlM      .5     .5     .5 .84865 .0039
TiM      .5     .5     .5  .0003 .0039
O    .26202 .26202 .26202        .0081
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Spinel
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Lucchesi S, Amoriello M, Della Giusta A
 
European Journal of Mineralogy 10 (1998) 473-482
Crystal chemistry of spinels from xenoliths of the
Alban Hills volcanic region
Sample: SP265h
Locality: xenoliths of the Alban Hills, Italy volcanic region
_database_code_amcsd 0006746
8.1103 8.1103 8.1103 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z    occ  Uiso
MgT    .125   .125   .125  .6566 .0055
FeT    .125   .125   .125  .1346 .0055
ZnT    .125   .125   .125  .0027 .0055
MnT    .125   .125   .125  .0055 .0055
AlT    .125   .125   .125  .1996 .0055
SiT    .125   .125   .125  .0009 .0055
MgM      .5     .5     .5  .1289 .0040
FeM      .5     .5     .5  .0258 .0040
NiM      .5     .5     .5 .00045 .0040
AlM      .5     .5     .5  .8424 .0040
CrM      .5     .5     .5 .00025 .0040
TiM      .5     .5     .5  .0019 .0040
O    .26195 .26195 .26195        .0083
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Spinel
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Lucchesi S, Amoriello M, Della Giusta A
 
European Journal of Mineralogy 10 (1998) 473-482
Crystal chemistry of spinels from xenoliths of the
Alban Hills volcanic region
Sample: SP266a
Locality: xenoliths of the Alban Hills, Italy volcanic region
_database_code_amcsd 0006747
8.0978 8.0978 8.0978 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z    occ  Uiso
MgT    .125   .125   .125  .7246 .0047
FeT    .125   .125   .125   .062 .0047
ZnT    .125   .125   .125  .0009 .0047
MnT    .125   .125   .125  .0025 .0047
AlT    .125   .125   .125  .2091 .0047
SiT    .125   .125   .125  .0008 .0047
MgM      .5     .5     .5 .12985 .0040
FeM      .5     .5     .5 .00675 .0040
NiM      .5     .5     .5 .00015 .0040
AlM      .5     .5     .5  .8621 .0040
TiM      .5     .5     .5 .00065 .0040
O    .26189 .26189 .26189        .0081
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Spinel
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Lucchesi S, Amoriello M, Della Giusta A
 
European Journal of Mineralogy 10 (1998) 473-482
Crystal chemistry of spinels from xenoliths of the
Alban Hills volcanic region
Sample: SP267d
Locality: xenoliths of the Alban Hills, Italy volcanic region
_database_code_amcsd 0006748
8.1001 8.1001 8.1001 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z    occ  Uiso
MgT    .125   .125   .125  .7832 .0045
FeT    .125   .125   .125  .0372 .0045
ZnT    .125   .125   .125  .0042 .0045
MnT    .125   .125   .125  .0021 .0045
AlT    .125   .125   .125  .1727 .0045
SiT    .125   .125   .125  .0006 .0045
MgM      .5     .5     .5 .10765 .0038
FeM      .5     .5     .5 .01145 .0038
NiM      .5     .5     .5 .00015 .0038
AlM      .5     .5     .5  .8775 .0038
CrM      .5     .5     .5 .00015 .0038
TiM      .5     .5     .5  .0028 .0038
O    .26240 .26240 .26240        .0071
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Spinel
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Lucchesi S, Amoriello M, Della Giusta A
 
European Journal of Mineralogy 10 (1998) 473-482
Crystal chemistry of spinels from xenoliths of the
Alban Hills volcanic region
Sample: SP267e
Locality: xenoliths of the Alban Hills, Italy volcanic region
_database_code_amcsd 0006749
8.1017 8.1017 8.1017 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z    occ  Uiso
MgT    .125   .125   .125   .787 .0044
FeT    .125   .125   .125  .0407 .0044
ZnT    .125   .125   .125  .0028 .0044
MnT    .125   .125   .125  .0005 .0044
AlT    .125   .125   .125  .1683 .0044
SiT    .125   .125   .125  .0006 .0044
MgM      .5     .5     .5  .1085 .0039
FeM      .5     .5     .5 .01515 .0039
NiM      .5     .5     .5  .0001 .0039
AlM      .5     .5     .5 .87155 .0039
TiM      .5     .5     .5  .0042 .0039
O    .26239 .26239 .26239        .0073
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Spinel
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Lucchesi S, Amoriello M, Della Giusta A
 
European Journal of Mineralogy 10 (1998) 473-482
Crystal chemistry of spinels from xenoliths of the
Alban Hills volcanic region
Sample: SP268a
Locality: xenoliths of the Alban Hills, Italy volcanic region
_database_code_amcsd 0006750
8.1077 8.1077 8.1077 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z    occ  Uiso
MgT    .125   .125   .125  .7224 .0048
FeT    .125   .125   .125  .1073 .0048
MnT    .125   .125   .125  .0027 .0048
AlT    .125   .125   .125  .1658 .0048
SiT    .125   .125   .125  .0016 .0048
MgM      .5     .5     .5  .1166 .0037
FeM      .5     .5     .5 .01775 .0037
NiM      .5     .5     .5  .0001 .0037
AlM      .5     .5     .5  .8592 .0037
CrM      .5     .5     .5 .00035 .0037
TiM      .5     .5     .5 .00545 .0037
O    .26235 .26235 .26235        .0073
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Franklinite
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Lucchesi S, Russo U, Della Giusta A
 
European Journal of Mineralogy 11 (1999) 501-511
Cation distribution in natural Zn-spinels: franklinite
Sample: FRK2
_database_code_amcsd 0006780
8.4654 8.4654 8.4654 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
ZnT    .125   .125   .125  .581 .0101
MnT    .125   .125   .125  .307 .0101
MgT    .125   .125   .125  .034 .0101
AlT    .125   .125   .125  .018 .0101
FeT    .125   .125   .125  .060 .0101
ZnM      .5     .5     .5 .0175 .0102
MnM      .5     .5     .5 .0335 .0102
MgM      .5     .5     .5 .0005 .0102
AlM      .5     .5     .5  .008 .0102
FeM      .5     .5     .5   .94 .0102
O     .2613  .2613  .2613       .0103
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Franklinite
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Lucchesi S, Russo U, Della Giusta A
 
European Journal of Mineralogy 11 (1999) 501-511
Cation distribution in natural Zn-spinels: franklinite
Sample: FRK3
_database_code_amcsd 0006781
8.4641 8.4641 8.4641 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
ZnT    .125   .125   .125  .609 .0091
MnT    .125   .125   .125  .315 .0091
MgT    .125   .125   .125  .017 .0091
AlT    .125   .125   .125  .033 .0091
FeT    .125   .125   .125  .027 .0091
ZnM      .5     .5     .5 .0035 .0091
MnM      .5     .5     .5 .0275 .0091
MgM      .5     .5     .5  .013 .0091
AlM      .5     .5     .5 .0005 .0091
FeM      .5     .5     .5  .955 .0091
O     .2614  .2614  .2614       .0097
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Franklinite
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Lucchesi S, Russo U, Della Giusta A
 
European Journal of Mineralogy 11 (1999) 501-511
Cation distribution in natural Zn-spinels: franklinite
Sample: FRK5
_database_code_amcsd 0006782
8.4434 8.4434 8.4434 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
ZnT    .125   .125   .125  .613 .0090
MnT    .125   .125   .125  .285 .0090
MgT    .125   .125   .125  .023 .0090
AlT    .125   .125   .125  .029 .0090
FeT    .125   .125   .125  .032 .0090
ZnM      .5     .5     .5 .0125 .0093
MnM      .5     .5     .5  .033 .0093
MgM      .5     .5     .5 .0105 .0093
AlM      .5     .5     .5  .056 .0093
FeM      .5     .5     .5 .8765 .0093
TiM      .5     .5     .5  .012 .0093
O     .2615  .2615  .2615       .0097
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Franklinite
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Lucchesi S, Russo U, Della Giusta A
 
European Journal of Mineralogy 11 (1999) 501-511
Cation distribution in natural Zn-spinels: franklinite
Sample: FRK6
_database_code_amcsd 0006783
8.4431 8.4431 8.4431 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
ZnT    .125   .125   .125  .669 .0091
MnT    .125   .125   .125  .260 .0091
AlT    .125   .125   .125  .023 .0091
FeT    .125   .125   .125  .048 .0091
ZnM      .5     .5     .5  .014 .0088
MnM      .5     .5     .5 .0365 .0088
MgM      .5     .5     .5  .021 .0088
AlM      .5     .5     .5   .06 .0088
FeM      .5     .5     .5 .8565 .0088
TiM      .5     .5     .5  .013 .0088
O     .2616  .2616  .2616       .0098
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Franklinite
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Lucchesi S, Russo U, Della Giusta A
 
European Journal of Mineralogy 11 (1999) 501-511
Cation distribution in natural Zn-spinels: franklinite
Sample: FRK7
_database_code_amcsd 0006784
8.4428 8.4428 8.4428 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
ZnT    .125   .125   .125  .659 .0071
MnT    .125   .125   .125  .265 .0071
MgT    .125   .125   .125  .006 .0071
AlT    .125   .125   .125  .019 .0071
FeT    .125   .125   .125  .051 .0071
ZnM      .5     .5     .5 .0195 .0069
MnM      .5     .5     .5 .0305 .0069
MgM      .5     .5     .5 .0155 .0069
AlM      .5     .5     .5  .061 .0069
FeM      .5     .5     .5 .8605 .0069
TiM      .5     .5     .5  .013 .0069
O     .2616  .2616  .2616       .0080
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Franklinite
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Lucchesi S, Russo U, Della Giusta A
 
European Journal of Mineralogy 11 (1999) 501-511
Cation distribution in natural Zn-spinels: franklinite
Sample: FRK8
_database_code_amcsd 0006785
8.4688 8.4688 8.4688 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
ZnT    .125   .125   .125  .591 .0098
MnT    .125   .125   .125  .300 .0098
MgT    .125   .125   .125  .035 .0098
AlT    .125   .125   .125  .028 .0098
FeT    .125   .125   .125  .047 .0098
ZnM      .5     .5     .5 .0055 .0101
MnM      .5     .5     .5  .063 .0101
FeM      .5     .5     .5 .9315 .0101
O     .2611  .2611  .2611       .0104
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Franklinite
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Lucchesi S, Russo U, Della Giusta A
 
European Journal of Mineralogy 11 (1999) 501-511
Cation distribution in natural Zn-spinels: franklinite
Sample: FRK10
_database_code_amcsd 0006786
8.4466 8.4466 8.4466 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
ZnT    .125   .125   .125  .639 .0096
MnT    .125   .125   .125  .287 .0096
MgT    .125   .125   .125  .004 .0096
AlT    .125   .125   .125  .032 .0096
FeT    .125   .125   .125  .038 .0096
ZnM      .5     .5     .5 .0095 .0096
MnM      .5     .5     .5 .0205 .0096
MgM      .5     .5     .5  .017 .0096
AlM      .5     .5     .5 .0485 .0096
FeM      .5     .5     .5  .897 .0096
TiM      .5     .5     .5  .008 .0096
O     .2615  .2615  .2615       .0100
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Franklinite
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Lucchesi S, Russo U, Della Giusta A
 
European Journal of Mineralogy 11 (1999) 501-511
Cation distribution in natural Zn-spinels: franklinite
Sample: FRK12
_database_code_amcsd 0006787
8.4585 8.4585 8.4585 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
ZnT    .125   .125   .125  .667 .0089
MnT    .125   .125   .125  .235 .0089
MgT    .125   .125   .125  .031 .0089
AlT    .125   .125   .125  .026 .0089
FeT    .125   .125   .125  .040 .0089
ZnM      .5     .5     .5 .0015 .0089
MnM      .5     .5     .5  .041 .0089
MgM      .5     .5     .5 .0125 .0089
AlM      .5     .5     .5 .0025 .0089
FeM      .5     .5     .5  .942 .0089
O     .2612  .2612  .2612       .0094
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Franklinite
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Lucchesi S, Russo U, Della Giusta A
 
European Journal of Mineralogy 11 (1999) 501-511
Cation distribution in natural Zn-spinels: franklinite
Sample: FRK13
_database_code_amcsd 0006788
8.4585 8.4585 8.4585 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
ZnT    .125   .125   .125  .647 .0096
MnT    .125   .125   .125  .273 .0096
MgT    .125   .125   .125  .002 .0096
AlT    .125   .125   .125  .043 .0096
FeT    .125   .125   .125  .034 .0096
ZnM      .5     .5     .5  .007 .0095
MnM      .5     .5     .5  .025 .0095
MgM      .5     .5     .5  .013 .0095
AlM      .5     .5     .5 .0085 .0095
FeM      .5     .5     .5  .945 .0095
TiM      .5     .5     .5  .002 .0095
O     .2612  .2612  .2612       .0099
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Spinel
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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
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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
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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
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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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Spinel
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Lavina B, Koneva A, Della Giusta A
 
European Journal of Mineralogy 15 (2003) 435-441
Cation distribution and cooling rates of Cr-substituted Mg-Al spinel
from the Olkhon metamorphic complex, Russia
Sample: T4-2B
Locality: Olkhon metamorphic complex, Russia
_database_code_amcsd 0006982
8.0903 8.0903 8.0903 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
AlT    .125   .125   .125  .132 .0402
MgT    .125   .125   .125  .863 .0402
ZnT    .125   .125   .125  .004 .0402
AlM      .5     .5     .5  .922 .0325
MgM      .5     .5     .5 .0655 .0325
CrM      .5     .5     .5 .0125 .0325
O    .26346 .26346 .26346       .0445
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Spinel
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Lavina B, Koneva A, Della Giusta A
 
European Journal of Mineralogy 15 (2003) 435-441
Cation distribution and cooling rates of Cr-substituted Mg-Al spinel
from the Olkhon metamorphic complex, Russia
Sample: T4-2F
Locality: Olkhon metamorphic complex, Russia
_database_code_amcsd 0006983
8.0940 8.0940 8.0940 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
AlT    .125   .125   .125  .131 .0390
MgT    .125   .125   .125  .862 .0390
ZnT    .125   .125   .125  .007 .0390
AlM      .5     .5     .5 .9045 .0337
MgM      .5     .5     .5  .064 .0337
CrM      .5     .5     .5  .031 .0337
O    .26341 .26341 .26341       .0452
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Spinel
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Lavina B, Koneva A, Della Giusta A
 
European Journal of Mineralogy 15 (2003) 435-441
Cation distribution and cooling rates of Cr-substituted Mg-Al spinel
from the Olkhon metamorphic complex, Russia
Sample: T4-2G
Locality: Olkhon metamorphic complex, Russia
_database_code_amcsd 0006984
8.0981 8.0981 8.0981 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
AlT    .125   .125   .125  .126 .0435
MgT    .125   .125   .125  .868 .0435
ZnT    .125   .125   .125  .006 .0435
AlM      .5     .5     .5 .8945 .0371
MgM      .5     .5     .5  .062 .0371
CrM      .5     .5     .5 .0435 .0371
O    .26342 .26342 .26342       .0458
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Spinel
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Lavina B, Koneva A, Della Giusta A
 
European Journal of Mineralogy 15 (2003) 435-441
Cation distribution and cooling rates of Cr-substituted Mg-Al spinel
from the Olkhon metamorphic complex, Russia
Sample: T4-2C
Locality: Olkhon metamorphic complex, Russia
_database_code_amcsd 0006985
8.102 8.102 8.102 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
AlT    .125   .125   .125  .126 .0436
MgT    .125   .125   .125  .868 .0436
ZnT    .125   .125   .125  .005 .0436
AlM      .5     .5     .5  .877 .0373
MgM      .5     .5     .5 .0625 .0373
CrM      .5     .5     .5   .06 .0373
O    .26334 .26334 .26334       .0475
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Spinel
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Lavina B, Koneva A, Della Giusta A
 
European Journal of Mineralogy 15 (2003) 435-441
Cation distribution and cooling rates of Cr-substituted Mg-Al spinel
from the Olkhon metamorphic complex, Russia
Sample: T4-2I
Locality: Olkhon metamorphic complex, Russia
_database_code_amcsd 0006986
8.1044 8.1044 8.1044 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
AlT    .125   .125   .125  .122 .0417
MgT    .125   .125   .125   .87 .0417
ZnT    .125   .125   .125  .008 .0417
AlM      .5     .5     .5  .873 .0362
MgM      .5     .5     .5   .06 .0362
CrM      .5     .5     .5 .0665 .0362
O    .26337 .26337 .26337       .0448
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Spinel
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Lavina B, Koneva A, Della Giusta A
 
European Journal of Mineralogy 15 (2003) 435-441
Cation distribution and cooling rates of Cr-substituted Mg-Al spinel
from the Olkhon metamorphic complex, Russia
Sample: T4-2L
Locality: Olkhon metamorphic complex, Russia
_database_code_amcsd 0006987
8.1091 8.1091 8.1091 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
AlT    .125   .125   .125  .122 .0382
MgT    .125   .125   .125  .869 .0382
ZnT    .125   .125   .125  .009 .0382
AlM      .5     .5     .5 .8565 .0340
MgM      .5     .5     .5  .061 .0340
CrM      .5     .5     .5  .083 .0340
O    .26328 .26328 .26328       .0471
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Spinel
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Lavina B, Koneva A, Della Giusta A
 
European Journal of Mineralogy 15 (2003) 435-441
Cation distribution and cooling rates of Cr-substituted Mg-Al spinel
from the Olkhon metamorphic complex, Russia
Sample: T4-2E
Locality: Olkhon metamorphic complex, Russia
_database_code_amcsd 0006988
8.1172 8.1172 8.1172 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
AlT    .125   .125   .125  .114 .0412
MgT    .125   .125   .125   .88 .0412
ZnT    .125   .125   .125  .006 .0412
AlM      .5     .5     .5 .8295 .0352
MgM      .5     .5     .5  .054 .0352
CrM      .5     .5     .5  .116 .0352
O    .26333 .26333 .26333       .0466
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Forsterite
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Ottonello G, Princivalle F, Della Giusta A
 
Physics and Chemistry of Minerals 17 (1990) 301-312
Temperature, composition, and fO2 effects on intersite
distribution of Mg and Fe2+ in olivines
Sample: 3149*
_database_code_amcsd 0007490
4.7871 10.3325 6.0347 90 90 90 Pbnm
atom     x     y     z  occ Biso
MgM1     0     0     0 .547  .72
FeM1     0     0     0 .453  .72
MgM2 .9870 .2787   .25 .592  .70
FeM2 .9870 .2787   .25 .372  .70
MnM2 .9870 .2787   .25  .03  .70
CaM2 .9870 .2787   .25 .006  .70
SiT  .4280 .0955   .25       .66
O1   .7663 .0921   .25       .75
O2   .2156 .4499   .25       .78
O3   .2823 .1639 .0349       .82
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Forsterite
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Ottonello G, Princivalle F, Della Giusta A
 
Physics and Chemistry of Minerals 17 (1990) 301-312
Temperature, composition, and fO2 effects on intersite
distribution of Mg and Fe2+ in olivines
Sample: 3149b
_database_code_amcsd 0007491
4.7891 10.3321 6.0346 90 90 90 Pbnm
atom     x     y     z  occ Biso
MgM1     0     0     0 .548  .69
FeM1     0     0     0 .452  .69
MgM2 .9871 .2786   .25 .591  .55
FeM2 .9871 .2786   .25 .373  .55
MnM2 .9871 .2786   .25  .03  .55
CaM2 .9871 .2786   .25 .006  .55
SiT  .4278 .0955   .25       .62
O1   .7662 .0921   .25       .76
O2   .2153 .4502   .25       .74
O3   .2823 .1641 .0348       .81
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Forsterite
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Ottonello G, Princivalle F, Della Giusta A
 
Physics and Chemistry of Minerals 17 (1990) 301-312
Temperature, composition, and fO2 effects on intersite
distribution of Mg and Fe2+ in olivines
Sample: 3149c
_database_code_amcsd 0007492
4.7911 10.3316 6.0350 90 90 90 Pbnm
atom     x     y     z  occ Biso
MgM1     0     0     0 .547  .71
FeM1     0     0     0 .453  .71
MgM2 .9872 .2786   .25 .592  .69
FeM2 .9872 .2786   .25 .372  .69
MnM2 .9872 .2786   .25  .03  .69
CaM2 .9872 .2786   .25 .006  .69
SiT  .4281 .0956   .25       .62
O1   .7660 .0920   .25       .75
O2   .2154 .4501   .25       .79
O3   .2816 .1640 .0347       .79
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Forsterite
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Ottonello G, Princivalle F, Della Giusta A
 
Physics and Chemistry of Minerals 17 (1990) 301-312
Temperature, composition, and fO2 effects on intersite
distribution of Mg and Fe2+ in olivines
Sample: 3153*
_database_code_amcsd 0007493
4.7688 10.2560 6.0065 90 90 90 Pbnm
atom     x     y     z  occ Biso
MgM1     0     0     0 .793  .59
FeM1     0     0     0 .207  .59
MgM2 .9889 .2780   .25 .790  .59
FeM2 .9889 .2780   .25 .192  .59
MnM2 .9889 .2780   .25 .012  .59
CaM2 .9889 .2780   .25 .005  .59
SiT  .4271 .0946   .25       .51
O1   .7658 .0916   .25       .60
O2   .2193 .4484   .25       .63
O3   .2795 .1634 .0337       .85
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Forsterite
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Ottonello G, Princivalle F, Della Giusta A
 
Physics and Chemistry of Minerals 17 (1990) 301-312
Temperature, composition, and fO2 effects on intersite
distribution of Mg and Fe2+ in olivines
Sample: 3153a
_database_code_amcsd 0007494
4.7696 10.2550 6.0053 90 90 90 Pbnm
atom     x     y     z  occ Biso
MgM1     0     0     0 .783  .62
FeM1     0     0     0 .217  .62
MgM2 .9890 .2780   .25 .800  .62
FeM2 .9890 .2780   .25 .182  .62
MnM2 .9890 .2780   .25 .012  .62
CaM2 .9890 .2780   .25 .005  .62
SiT  .4272 .0948   .25       .52
O1   .7659 .0918   .25       .60
O2   .2191 .4486   .25       .63
O3   .2793 .1634 .0336       .67
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Forsterite
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Ottonello G, Princivalle F, Della Giusta A
 
Physics and Chemistry of Minerals 17 (1990) 301-312
Temperature, composition, and fO2 effects on intersite
distribution of Mg and Fe2+ in olivines
Sample: 3153b
_database_code_amcsd 0007495
4.7701 10.2556 6.0060 90 90 90 Pbnm
atom     x     y     z  occ Biso
MgM1     0     0     0 .782  .62
FeM1     0     0     0 .218  .62
MgM2 .9889 .2780   .25 .802  .60
FeM2 .9889 .2780   .25 .181  .60
MnM2 .9889 .2780   .25 .012  .60
CaM2 .9889 .2780   .25 .005  .60
SiT  .4271 .0948   .25       .51
O1   .7664 .0917   .25       .51
O2   .2192 .4483   .25       .62
O3   .2796 .1634 .0338       .68
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Forsterite
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Ottonello G, Princivalle F, Della Giusta A
 
Physics and Chemistry of Minerals 17 (1990) 301-312
Temperature, composition, and fO2 effects on intersite
distribution of Mg and Fe2+ in olivines
Sample: 3153c
_database_code_amcsd 0007496
4.7687 10.2555 6.0066 90 90 90 Pbnm
atom     x     y     z  occ Biso
MgM1     0     0     0 .783  .59
FeM1     0     0     0 .217  .59
MgM2 .9890 .2780   .25 .800  .59
FeM2 .9890 .2780   .25 .182  .59
MnM2 .9890 .2780   .25 .012  .59
CaM2 .9890 .2780   .25 .005  .59
SiT  .4272 .0947   .25       .50
O1   .7659 .0917   .25       .58
O2   .2194 .4484   .25       .60
O3   .2795 .1635 .0338       .66
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Forsterite
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Ottonello G, Princivalle F, Della Giusta A
 
Physics and Chemistry of Minerals 17 (1990) 301-312
Temperature, composition, and fO2 effects on intersite
distribution of Mg and Fe2+ in olivines
Sample: CC37*
_database_code_amcsd 0007497
4.7624 10.2243 5.9922 90 90 90 Pbnm
atom     x     y     z  occ Biso
MgM1     0     0     0 .892  .46
FeM1     0     0     0 .103  .46
NiM1     0     0     0 .005  .46
MgM2 .9899 .2777   .25 .901  .47
FeM2 .9899 .2777   .25 .096  .47
MnM2 .9899 .2777   .25 .003  .47
SiT  .4268 .0944   .25       .38
O1   .7662 .0917   .25       .47
O2   .2206 .4478   .25       .45
O3   .2785 .1632 .0332       .51
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Forsterite
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Ottonello G, Princivalle F, Della Giusta A
 
Physics and Chemistry of Minerals 17 (1990) 301-312
Temperature, composition, and fO2 effects on intersite
distribution of Mg and Fe2+ in olivines
Sample: CC37a
_database_code_amcsd 0007498
4.7631 10.2230 5.9920 90 90 90 Pbnm
atom     x     y     z  occ Biso
MgM1     0     0     0 .893 .50
FeM1     0     0     0 .102 .50
NiM1     0     0     0 .005 .50
MgM2 .9901 .2777   .25 .899 .53
FeM2 .9901 .2777   .25 .098 .53
MnM2 .9901 .2777   .25 .003 .53
SiT  .4267 .0943   .25      .41
O1   .7663 .0917   .25      .51
O2   .2203 .4478   .25      .50
O3   .2782 .1632 .0333      .55
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Forsterite
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Ottonello G, Princivalle F, Della Giusta A
 
Physics and Chemistry of Minerals 17 (1990) 301-312
Temperature, composition, and fO2 effects on intersite
distribution of Mg and Fe2+ in olivines
Sample: CC37b
_database_code_amcsd 0007499
4.7617 10.2246 5.9922 90 90 90 Pbnm
atom     x     y     z  occ Biso
MgM1     0     0     0 .890 .51
FeM1     0     0     0 .105 .51
NiM1     0     0     0 .005 .51
MgM2 .9901 .2777   .25 .903 .51
FeM2 .9901 .2777   .25 .094 .51
MnM2 .9901 .2777   .25 .003 .51
SiT  .4268 .0943   .25      .40
O1   .7662 .0916   .25      .51
O2   .2202 .4478   .25      .51
O3   .2783 .1632 .0334      .54
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Forsterite
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Ottonello G, Princivalle F, Della Giusta A
 
Physics and Chemistry of Minerals 17 (1990) 301-312
Temperature, composition, and fO2 effects on intersite
distribution of Mg and Fe2+ in olivines
Sample: CC37c
_database_code_amcsd 0007500
4.7606 10.2234 5.9942 90 90 90 Pbnm
atom     x     y     z  occ Biso
MgM1     0     0     0 .893 .54
FeM1     0     0     0 .102 .54
NiM1     0     0     0 .005 .54
MgM2 .9902 .2776   .25 .899 .57
FeM2 .9902 .2776   .25 .098 .57
MnM2 .9902 .2776   .25 .003 .57
SiT  .4268 .0944   .25      .45
O1   .7662 .0916   .25      .53
O2   .2200 .4479   .25      .54
O3   .2783 .1631 .0333      .58
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Forsterite
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Ottonello G, Princivalle F, Della Giusta A
 
Physics and Chemistry of Minerals 17 (1990) 301-312
Temperature, composition, and fO2 effects on intersite
distribution of Mg and Fe2+ in olivines
Sample: 3263*
_database_code_amcsd 0007501
4.7620 10.2257 5.9930 90 90 90 Pbnm
atom     x     y     z  occ Biso
MgM1     0     0     0 .908 .67
FeM1     0     0     0 .083 .67
NiM1     0     0     0 .010 .67
MgM2 .9899 .2777   .25 .909 .66
FeM2 .9899 .2777   .25 .081 .66
MnM2 .9899 .2777   .25 .003 .66
CaM2 .9899 .2777   .25 .007 .66
SiT  .4267 .0943   .25      .56
O1   .7659 .0914   .25      .62
O2   .2203 .4478   .25      .62
O3   .2784 .1632 .0336      .68
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Forsterite
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Ottonello G, Princivalle F, Della Giusta A
 
Physics and Chemistry of Minerals 17 (1990) 301-312
Temperature, composition, and fO2 effects on intersite
distribution of Mg and Fe2+ in olivines
Sample: 3263d
_database_code_amcsd 0007502
4.7620 10.2207 5.9907 90 90 90 Pbnm
atom     x     y     z  occ Biso
MgM1     0     0     0 .905 .39
FeM1     0     0     0 .085 .39
NiM1     0     0     0 .010 .39
MgM2 .9903 .2776   .25 .912 .39
FeM2 .9903 .2776   .25 .079 .39
MnM2 .9903 .2776   .25 .003 .39
CaM2 .9903 .2776   .25 .007 .39
SiT  .4267 .0943   .25      .32
O1   .7662 .0918   .25      .43
O2   .2200 .4479   .25      .41
O3   .2782 .1632 .0333      .46
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Hercynite
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Lavina B, Princivalle F, Della Giusta A
 
Physics and Chemistry of Minerals 32 (2005) 83-88
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
Spinel structure
Sample: Unannealed
_database_code_amcsd 0008938
8.1396 8.1396 8.1396 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z occ  Uiso
AlA    .125   .125   .125 .18 .0075
Fe2+A  .125   .125   .125 .62 .0075
Fe3+A  .125   .125   .125 .02 .0075
MgA    .125   .125   .125 .18 .0075
AlB      .5     .5     .5 .88 .0045
Fe2+B    .5     .5     .5 .04 .0045
Fe3+B    .5     .5     .5 .02 .0045
MgB      .5     .5     .5 .06 .0045
O    .26344 .26344 .26344     .0089
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Hercynite
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Lavina B, Princivalle F, Della Giusta A
 
Physics and Chemistry of Minerals 32 (2005) 83-88
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
Spinel structure
Sample: Annealing temperature and time T = 500 C, t = 24 h
_database_code_amcsd 0008939
8.1388 8.1388 8.1388 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
AlA    .125   .125   .125  .18 .0073
Fe2+A  .125   .125   .125  .62 .0073
Fe3+A  .125   .125   .125  .02 .0073
MgA    .125   .125   .125  .18 .0073
AlB      .5     .5     .5  .88 .0042
Fe2+B    .5     .5     .5 .045 .0042
Fe3+B    .5     .5     .5  .02 .0042
MgB      .5     .5     .5 .055 .0042
O    .26343 .26343 .26343      .0085
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Hercynite
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Lavina B, Princivalle F, Della Giusta A
 
Physics and Chemistry of Minerals 32 (2005) 83-88
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
Spinel structure
Sample: Annealing temperature and time T = 500 C, t = 72 h
_database_code_amcsd 0008940
8.1384 8.1384 8.1384 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
AlA    .125   .125   .125  .18 .0074
Fe2+A  .125   .125   .125  .61 .0074
Fe3+A  .125   .125   .125  .01 .0074
MgA    .125   .125   .125  .19 .0074
AlB      .5     .5     .5  .88 .0047
Fe2+B    .5     .5     .5 .045 .0047
Fe3+B    .5     .5     .5 .025 .0047
MgB      .5     .5     .5  .05 .0047
O    .26340 .26340 .26340      .0085
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Hercynite
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Lavina B, Princivalle F, Della Giusta A
 
Physics and Chemistry of Minerals 32 (2005) 83-88
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
Spinel structure
Sample: Annealing temperature and time T = 500 C, t = 116 h
_database_code_amcsd 0008941
8.1380 8.1380 8.1380 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
AlA    .125   .125   .125  .16 .0074
Fe2+A  .125   .125   .125  .60 .0074
Fe3+A  .125   .125   .125  .03 .0074
MgA    .125   .125   .125  .21 .0074
AlB      .5     .5     .5  .89 .0044
Fe2+B    .5     .5     .5 .055 .0044
Fe3+B    .5     .5     .5  .01 .0044
MgB      .5     .5     .5 .045 .0044
O    .26356 .26356 .26356      .0083
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Hercynite
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Lavina B, Princivalle F, Della Giusta A
 
Physics and Chemistry of Minerals 32 (2005) 83-88
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
Spinel structure
Sample: Annealing temperature and time T = 500 C, t = 212 h
_database_code_amcsd 0008942
8.1380 8.1380 8.1380 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
AlA    .125   .125   .125  .17 .0080
Fe2+A  .125   .125   .125  .61 .0080
Fe3+A  .125   .125   .125  .02 .0080
MgA    .125   .125   .125  .20 .0080
AlB      .5     .5     .5  .89 .0050
Fe2+B    .5     .5     .5 .045 .0050
Fe3+B    .5     .5     .5  .02 .0050
MgB      .5     .5     .5 .045 .0050
O    .26360 .26360 .26360      .0087
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Hercynite
Download hom/hercynite.pdf
Lavina B, Princivalle F, Della Giusta A
 
Physics and Chemistry of Minerals 32 (2005) 83-88
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
Spinel structure
Sample: Annealing temperature and time T = 600 C, t = 236 h
_database_code_amcsd 0008943
8.1366 8.1366 8.1366 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
AlA    .125   .125   .125  .17 .0084
Fe2+A  .125   .125   .125  .54 .0084
Fe3+A  .125   .125   .125  .06 .0084
MgA    .125   .125   .125  .23 .0084
AlB      .5     .5     .5  .88 .0062
Fe2+B    .5     .5     .5 .065 .0062
Fe3+B    .5     .5     .5  .02 .0062
MgB      .5     .5     .5  .03 .0062
O    .26316 .26316 .26316      .0101
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Hercynite
Download hom/hercynite.pdf
Lavina B, Princivalle F, Della Giusta A
 
Physics and Chemistry of Minerals 32 (2005) 83-88
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
Spinel structure
Sample: Annealing temperature and time T = 600 C, t = 242 h
_database_code_amcsd 0008944
8.1347 8.1347 8.1347 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
AlA    .125   .125   .125  .17 .0080
Fe2+A  .125   .125   .125  .54 .0080
Fe3+A  .125   .125   .125  .06 .0080
MgA    .125   .125   .125  .23 .0080
AlB      .5     .5     .5 .875 .0054
Fe2+B    .5     .5     .5  .05 .0054
Fe3+B    .5     .5     .5  .03 .0054
MgB      .5     .5     .5 .035 .0054
O    .26310 .26310 .26310      .0093
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Hercynite
Download hom/hercynite.pdf
Lavina B, Princivalle F, Della Giusta A
 
Physics and Chemistry of Minerals 32 (2005) 83-88
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
Spinel structure
Sample: Annealing temperature and time T = 600 C, t = 260 h
_database_code_amcsd 0008945
8.1329 8.1329 8.1329 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
AlA    .125   .125   .125  .18 .0074
Fe2+A  .125   .125   .125  .53 .0074
Fe3+A  .125   .125   .125  .07 .0074
MgA    .125   .125   .125  .22 .0074
AlB      .5     .5     .5 .865 .0047
Fe2+B    .5     .5     .5  .05 .0047
Fe3+B    .5     .5     .5 .035 .0047
MgB      .5     .5     .5 .035 .0047
O    .26292 .26292 .26292      .0090
Download AMC data (View Text File)
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Hercynite
Download hom/hercynite.pdf
Lavina B, Princivalle F, Della Giusta A
 
Physics and Chemistry of Minerals 32 (2005) 83-88
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
Spinel structure
Sample: Annealing temperature and time T = 600 C, t = 308 h
_database_code_amcsd 0008946
8.1291 8.1291 8.1291 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
AlA    .125   .125   .125  .21 .0084
Fe2+A  .125   .125   .125  .49 .0084
Fe3+A  .125   .125   .125  .10 .0084
MgA    .125   .125   .125  .18 .0084
AlB      .5     .5     .5 .855 .0057
Fe2+B    .5     .5     .5  .04 .0057
Fe3+B    .5     .5     .5  .04 .0057
MgB      .5     .5     .5 .055 .0057
O    .26255 .26255 .26255      .0103
Download AMC data (View Text File)
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Hercynite
Download hom/hercynite.pdf
Lavina B, Princivalle F, Della Giusta A
 
Physics and Chemistry of Minerals 32 (2005) 83-88
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
Spinel structure
Sample: Annealing temperature and time T = 600 C, t = 356 h
_database_code_amcsd 0008947
8.1198 8.1198 8.1198 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
AlA    .125   .125   .125  .19 .0083
Fe2+A  .125   .125   .125  .36 .0083
Fe3+A  .125   .125   .125  .20 .0083
MgA    .125   .125   .125  .23 .0083
AlB      .5     .5     .5 .845 .0061
Fe2+B    .5     .5     .5  .05 .0061
Fe3+B    .5     .5     .5 .045 .0061
MgB      .5     .5     .5  .03 .0061
O    .26220 .26220 .26220      .0107
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Hercynite
Download hom/hercynite.pdf
Lavina B, Princivalle F, Della Giusta A
 
Physics and Chemistry of Minerals 32 (2005) 83-88
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
Spinel structure
Sample: Annealing temperature and time T = 600 C, t = 452 h
_database_code_amcsd 0008948
8.1172 8.1172 8.1172 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
AlA    .125   .125   .125  .21 .0082
Fe2+A  .125   .125   .125  .35 .0082
Fe3+A  .125   .125   .125  .19 .0082
MgA    .125   .125   .125  .22 .0082
AlB      .5     .5     .5  .83 .0063
Fe2+B    .5     .5     .5  .04 .0063
Fe3+B    .5     .5     .5  .06 .0063
MgB      .5     .5     .5 .035 .0063
O    .26178 .26178 .26178      .0108
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Hercynite
Download hom/hercynite.pdf
Lavina B, Princivalle F, Della Giusta A
 
Physics and Chemistry of Minerals 32 (2005) 83-88
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
Spinel structure
Sample: Annealing temperature and time T = 600 C, t = 596 h
_database_code_amcsd 0008949
8.1076 8.1076 8.1076 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
AlA    .125   .125   .125  .22 .0083
Fe2+A  .125   .125   .125  .24 .0083
Fe3+A  .125   .125   .125  .27 .0083
MgA    .125   .125   .125  .24 .0083
AlB      .5     .5     .5  .81 .0065
Fe2+B    .5     .5     .5  .04 .0065
Fe3+B    .5     .5     .5  .08 .0065
MgB      .5     .5     .5  .02 .0065
O    .26131 .26131 .26131      .0112
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