American Mineralogist Crystal Structure Database

75 matching records for this search.

Hercynite
Download hom/hercynite.pdf
Hill R J
Download am/vol69/AM69_937.pdf
American Mineralogist 69 (1984) 937-942
X-ray powder diffraction profile refinement of synthetic hercynite
inversion parameter = .163
_database_code_amcsd 0000958
8.15579 8.15579 8.15579 90 90 90 *Fd3m
.125 .125 .125
atom    x     y     z Biso
Fe   .125  .125  .125  .56
Al     .5    .5    .5  .44
O   .2633 .2633 .2633 1.07
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
Harrison R J, Redfern S A T, O'Neill H St C
Download am/vol83/AM83_1092.pdf
American Mineralogist 83 (1998) 1092-1099
The temperature dependence of the cation distribution in synthetic hercynite
(FeAl2O4) from in-situ neutron structure refinements
Sample at T = 298 K
_database_code_amcsd 0002031
8.14578 8.14578 8.14578 90 90 90 *Fd3m
.125 .125 .125
atom       x       y       z   occ Biso
Fe      .125    .125    .125  .865 .571
Al      .125    .125    .125  .135 .571
Fe        .5      .5      .5 .0675 .387
Al        .5      .5      .5 .9325 .387
O    .264252 .264252 .264252       .798
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
Harrison R J, Redfern S A T, O'Neill H St C
Download am/vol83/AM83_1092.pdf
American Mineralogist 83 (1998) 1092-1099
The temperature dependence of the cation distribution in synthetic hercynite
(FeAl2O4) from in-situ neutron structure refinements
Sample at T = 473 K
_database_code_amcsd 0002032
8.15612 8.15612 8.15612 90 90 90 *Fd3m
.125 .125 .125
atom       x       y       z  occ Biso
Fe      .125    .125    .125 .866 .838
Al      .125    .125    .125 .134 .838
Fe        .5      .5      .5 .067 .542
Al        .5      .5      .5 .933 .542
O    .264238 .264238 .264238      .971
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
Harrison R J, Redfern S A T, O'Neill H St C
Download am/vol83/AM83_1092.pdf
American Mineralogist 83 (1998) 1092-1099
The temperature dependence of the cation distribution in synthetic hercynite
(FeAl2O4) from in-situ neutron structure refinements
Sample at T = 673 K
_database_code_amcsd 0002033
8.16949 8.16949 8.16949 90 90 90 *Fd3m
.125 .125 .125
atom       x       y       z  occ  Biso
Fe      .125    .125    .125 .866 1.147
Al      .125    .125    .125 .134 1.147
Fe        .5      .5      .5 .067  .744
Al        .5      .5      .5 .933  .744
O    .264223 .264223 .264223      1.203
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
Harrison R J, Redfern S A T, O'Neill H St C
Download am/vol83/AM83_1092.pdf
American Mineralogist 83 (1998) 1092-1099
The temperature dependence of the cation distribution in synthetic hercynite
(FeAl2O4) from in-situ neutron structure refinements
Sample at T = 723 K
_database_code_amcsd 0002034
8.17298 8.17298 8.17298 90 90 90 *Fd3m
.125 .125 .125
atom       x       y       z   occ  Biso
Fe      .125    .125    .125  .867 1.219
Al      .125    .125    .125  .133 1.219
Fe        .5      .5      .5 .0665  .785
Al        .5      .5      .5 .9335  .785
O    .264210 .264210 .264210       1.246
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
Harrison R J, Redfern S A T, O'Neill H St C
Download am/vol83/AM83_1092.pdf
American Mineralogist 83 (1998) 1092-1099
The temperature dependence of the cation distribution in synthetic hercynite
(FeAl2O4) from in-situ neutron structure refinements
Sample at T = 773 K
_database_code_amcsd 0002035
8.17657 8.17657 8.17657 90 90 90 *Fd3m
.125 .125 .125
atom       x       y       z   occ  Biso
Fe      .125    .125    .125  .868 1.290
Al      .125    .125    .125  .132 1.290
Fe        .5      .5      .5  .066  .823
Al        .5      .5      .5  .934  .823
O    .264203 .264203 .264203       1.299
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
Harrison R J, Redfern S A T, O'Neill H St C
Download am/vol83/AM83_1092.pdf
American Mineralogist 83 (1998) 1092-1099
The temperature dependence of the cation distribution in synthetic hercynite
(FeAl2O4) from in-situ neutron structure refinements
Sample at T = 823 K
_database_code_amcsd 0002036
8.18021 8.18021 8.18021 90 90 90 *Fd3m
.125 .125 .125
atom       x       y       z   occ  Biso
Fe      .125    .125    .125  .875 1.365
Al      .125    .125    .125  .125 1.365
Fe        .5      .5      .5 .0625  .872
Al        .5      .5      .5 .9375  .872
O    .264279 .264279 .264279       1.332
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
Harrison R J, Redfern S A T, O'Neill H St C
Download am/vol83/AM83_1092.pdf
American Mineralogist 83 (1998) 1092-1099
The temperature dependence of the cation distribution in synthetic hercynite
(FeAl2O4) from in-situ neutron structure refinements
Sample at T = 873 K
_database_code_amcsd 0002037
8.18390 8.18390 8.18390 90 90 90 *Fd3m
.125 .125 .125
atom       x       y       z   occ  Biso
Fe      .125    .125    .125  .888 1.455
Al      .125    .125    .125  .112 1.455
Fe        .5      .5      .5  .056  .912
Al        .5      .5      .5  .944  .912
O    .264380 .264380 .264380       1.355
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
Harrison R J, Redfern S A T, O'Neill H St C
Download am/vol83/AM83_1092.pdf
American Mineralogist 83 (1998) 1092-1099
The temperature dependence of the cation distribution in synthetic hercynite
(FeAl2O4) from in-situ neutron structure refinements
Sample at T = 923 K
_database_code_amcsd 0002038
8.18781 8.18781 8.18781 90 90 90 *Fd3m
.125 .125 .125
atom       x       y       z   occ  Biso
Fe      .125    .125    .125  .878 1.538
Al      .125    .125    .125  .122 1.538
Fe        .5      .5      .5  .061  .967
Al        .5      .5      .5  .939  .967
O    .264311 .264311 .264311       1.441
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
Harrison R J, Redfern S A T, O'Neill H St C
Download am/vol83/AM83_1092.pdf
American Mineralogist 83 (1998) 1092-1099
The temperature dependence of the cation distribution in synthetic hercynite
(FeAl2O4) from in-situ neutron structure refinements
Sample at T = 973 K
_database_code_amcsd 0002039
8.19177 8.19177 8.19177 90 90 90 *Fd3m
.125 .125 .125
atom       x       y       z   occ  Biso
Fe      .125    .125    .125  .868 1.618
Al      .125    .125    .125  .132 1.618
Fe        .5      .5      .5  .066 1.037
Al        .5      .5      .5  .934 1.037
O    .264219 .264219 .264219       1.538
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
Harrison R J, Redfern S A T, O'Neill H St C
Download am/vol83/AM83_1092.pdf
American Mineralogist 83 (1998) 1092-1099
The temperature dependence of the cation distribution in synthetic hercynite
(FeAl2O4) from in-situ neutron structure refinements
Sample at T = 1023 K
_database_code_amcsd 0002040
8.19571 8.19571 8.19571 90 90 90 *Fd3m
.125 .125 .125
atom       x       y       z   occ  Biso
Fe      .125    .125    .125  .857 1.697
Al      .125    .125    .125  .143 1.697
Fe        .5      .5      .5 .0715 1.110
Al        .5      .5      .5 .9285 1.110
O    .264113 .264113 .264113       1.624
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
Harrison R J, Redfern S A T, O'Neill H St C
Download am/vol83/AM83_1092.pdf
American Mineralogist 83 (1998) 1092-1099
The temperature dependence of the cation distribution in synthetic hercynite
(FeAl2O4) from in-situ neutron structure refinements
Sample at T = 1073 K
_database_code_amcsd 0002041
8.19988 8.19988 8.19988 90 90 90 *Fd3m
.125 .125 .125
atom       x       y       z   occ  Biso
Fe      .125    .125    .125  .847 1.784
Al      .125    .125    .125  .153 1.784
Fe        .5      .5      .5 .0765 1.170
Al        .5      .5      .5 .9235 1.170
O    .263994 .263994 .263994       1.721
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
Harrison R J, Redfern S A T, O'Neill H St C
Download am/vol83/AM83_1092.pdf
American Mineralogist 83 (1998) 1092-1099
The temperature dependence of the cation distribution in synthetic hercynite
(FeAl2O4) from in-situ neutron structure refinements
Sample at T = 1123 K
_database_code_amcsd 0002042
8.20404 8.20404 8.20404 90 90 90 *Fd3m
.125 .125 .125
atom       x       y       z   occ  Biso
Fe      .125    .125    .125  .834 1.858
Al      .125    .125    .125  .166 1.858
Fe        .5      .5      .5  .083 1.246
Al        .5      .5      .5  .917 1.246
O    .263885 .263885 .263885       1.816
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
Harrison R J, Redfern S A T, O'Neill H St C
Download am/vol83/AM83_1092.pdf
American Mineralogist 83 (1998) 1092-1099
The temperature dependence of the cation distribution in synthetic hercynite
(FeAl2O4) from in-situ neutron structure refinements
Sample at T = 1173 K
_database_code_amcsd 0002043
8.20826 8.20826 8.20826 90 90 90 *Fd3m
.125 .125 .125
atom       x       y       z   occ  Biso
Fe      .125    .125    .125  .826 1.954
Al      .125    .125    .125  .175 1.954
Fe        .5      .5      .5 .0875 1.315
Al        .5      .5      .5 .9125 1.315
O    .263791 .263791 .263791       1.912
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
Harrison R J, Redfern S A T, O'Neill H St C
Download am/vol83/AM83_1092.pdf
American Mineralogist 83 (1998) 1092-1099
The temperature dependence of the cation distribution in synthetic hercynite
(FeAl2O4) from in-situ neutron structure refinements
Sample at T = 1223 K
_database_code_amcsd 0002044
8.21252 8.21252 8.21252 90 90 90 *Fd3m
.125 .125 .125
atom       x       y       z   occ  Biso
Fe      .125    .125    .125  .815 2.044
Al      .125    .125    .125  .185 2.044
Fe        .5      .5      .5 .0925 1.389
Al        .5      .5      .5 .9075 1.389
O    .263692 .263692 .263692       2.003
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
Harrison R J, Redfern S A T, O'Neill H St C
Download am/vol83/AM83_1092.pdf
American Mineralogist 83 (1998) 1092-1099
The temperature dependence of the cation distribution in synthetic hercynite
(FeAl2O4) from in-situ neutron structure refinements
Sample at T = 1273 K
_database_code_amcsd 0002045
8.21680 8.21680 8.21680 90 90 90 *Fd3m
.125 .125 .125
atom       x       y       z   occ  Biso
Fe      .125    .125    .125  .807 2.137
Al      .125    .125    .125  .193 2.137
Fe        .5      .5      .5 .0915 1.459
Al        .5      .5      .5 .9085 1.459
O    .263599 .263599 .263599       2.093
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
Harrison R J, Redfern S A T, O'Neill H St C
Download am/vol83/AM83_1092.pdf
American Mineralogist 83 (1998) 1092-1099
The temperature dependence of the cation distribution in synthetic hercynite
(FeAl2O4) from in-situ neutron structure refinements
Sample at T = 1323 K
_database_code_amcsd 0002046
8.22103 8.22103 8.22103 90 90 90 *Fd3m
.125 .125 .125
atom       x       y       z   occ  Biso
Fe      .125    .125    .125  .799 2.234
Al      .125    .125    .125  .201 2.234
Fe        .5      .5      .5 .1005 1.522
Al        .5      .5      .5 .8995 1.522
O    .263491 .263491 .263491       2.186
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
Harrison R J, Redfern S A T, O'Neill H St C
Download am/vol83/AM83_1092.pdf
American Mineralogist 83 (1998) 1092-1099
The temperature dependence of the cation distribution in synthetic hercynite
(FeAl2O4) from in-situ neutron structure refinements
Sample at T = 1373 K
_database_code_amcsd 0002047
8.22525 8.22525 8.22525 90 90 90 *Fd3m
.125 .125 .125
atom       x       y       z   occ  Biso
Fe      .125    .125    .125  .792 2.333
Al      .125    .125    .125  .207 2.333
Fe        .5      .5      .5 .1035 1.595
Al        .5      .5      .5 .8965 1.595
O    .263366 .263366 .263366       2.277
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
Harrison R J, Redfern S A T, O'Neill H St C
Download am/vol83/AM83_1092.pdf
American Mineralogist 83 (1998) 1092-1099
The temperature dependence of the cation distribution in synthetic hercynite
(FeAl2O4) from in-situ neutron structure refinements
Sample at T = 1423 K
_database_code_amcsd 0002048
8.22939 8.22939 8.22939 90 90 90 *Fd3m
.125 .125 .125
atom       x       y       z   occ  Biso
Fe      .125    .125    .125  .781 2.416
Al      .125    .125    .125  .219 2.416
Fe        .5      .5      .5 .1095 1.677
Al        .5      .5      .5 .8905 1.677
O    .263254 .263254 .263254       2.365
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
Andreozzi G B, Lucchesi S
Download am/vol87/AM87_1113.pdf
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
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
Andreozzi G B, Lucchesi S
Download am/vol87/AM87_1113.pdf
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
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
Andreozzi G B, Lucchesi S
Download am/vol87/AM87_1113.pdf
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
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
Andreozzi G B, Lucchesi S
Download am/vol87/AM87_1113.pdf
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
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
Andreozzi G B, Lucchesi S
Download am/vol87/AM87_1113.pdf
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
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
Andreozzi G B, Lucchesi S
Download am/vol87/AM87_1113.pdf
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
Download am/vol87/AM87_1113.pdf
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
Download am/vol87/AM87_1113.pdf
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
Download am/vol87/AM87_1113.pdf
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
Download am/vol87/AM87_1113.pdf
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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Hercynite
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Lavina B, Cesare B, Alvarez-Valero A M, Uchida H, Downs R T, Koneva A, Dera P
Download am/vol94/AM94_657.pdf
American Mineralogist 94 (2009) 657-665
Closure temperatures of intracrystalline ordering in anatectic and metamorphic
hercynite, Fe2+Al2O4
Note: Sample HO19
Locality: El Hoyazo, lavas of the Neogene Volcanic Province of SE Spain
_database_code_amcsd 0004917
8.1584 8.1584 8.1584 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z  occ   Uiso
Fe2+T   .125   .125   .125  .75 .00781
Fe3+T   .125   .125   .125  .01 .00781
AlT     .125   .125   .125  .17 .00781
MgT     .125   .125   .125  .05 .00781
AlM       .5     .5     .5 .897 .00627
Fe2+M     .5     .5     .5 .046 .00627
MgM       .5     .5     .5 .044 .00627
Fe3+M     .5     .5     .5 .013 .00627
O     .26371 .26371 .26371       .0119
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Hercynite
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Lavina B, Cesare B, Alvarez-Valero A M, Uchida H, Downs R T, Koneva A, Dera P
Download am/vol94/AM94_657.pdf
American Mineralogist 94 (2009) 657-665
Closure temperatures of intracrystalline ordering in anatectic and metamorphic
hercynite, Fe2+Al2O4
Note: Sample AVMa8.9
Locality: El Hoyazo, lavas of the Neogene Volcanic Province of SE Spain
_database_code_amcsd 0004918
8.1511 8.1511 8.1511 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z  occ   Uiso
Fe2+T   .125   .125   .125  .77 .00734
Fe3+T   .125   .125   .125  .01 .00734
AlT     .125   .125   .125  .16 .00734
MgT     .125   .125   .125  .04 .00734
AlM       .5     .5     .5 .894 .00549
Fe2+M     .5     .5     .5 .051 .00549
MgM       .5     .5     .5 .038 .00549
Fe3+M     .5     .5     .5 .021 .00549
O     .26393 .26393 .26393      .01082
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Hercynite
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Lavina B, Cesare B, Alvarez-Valero A M, Uchida H, Downs R T, Koneva A, Dera P
Download am/vol94/AM94_657.pdf
American Mineralogist 94 (2009) 657-665
Closure temperatures of intracrystalline ordering in anatectic and metamorphic
hercynite, Fe2+Al2O4
Note: Sample AVHz20
Locality: El Hoyazo, lavas of the Neogene Volcanic Province of SE Spain
_database_code_amcsd 0004919
8.1517 8.1517 8.1517 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z  occ   Uiso
Fe2+T   .125   .125   .125  .77 .00732
Fe3+T   .125   .125   .125  .02 .00732
AlT     .125   .125   .125  .14 .00732
MgT     .125   .125   .125  .06 .00732
AlM       .5     .5     .5 .883 .00506
Fe2+M     .5     .5     .5 .044 .00506
MgM       .5     .5     .5 .043 .00506
Fe3+M     .5     .5     .5 .028 .00506
TiM       .5     .5     .5 .002 .00506
O     .26405 .26405 .26405       .0105
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Hercynite
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Lavina B, Cesare B, Alvarez-Valero A M, Uchida H, Downs R T, Koneva A, Dera P
Download am/vol94/AM94_657.pdf
American Mineralogist 94 (2009) 657-665
Closure temperatures of intracrystalline ordering in anatectic and metamorphic
hercynite, Fe2+Al2O4
Note: Sample HO15
Locality: El Hoyazo, lavas of the Neogene Volcanic Province of SE Spain
_database_code_amcsd 0004920
8.1504 8.1504 8.1504 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z  occ   Uiso
Fe2+T   .125   .125   .125  .73 .00771
Fe3+T   .125   .125   .125  .02 .00771
AlT     .125   .125   .125  .18 .00771
MgT     .125   .125   .125  .06 .00771
AlM       .5     .5     .5 .875 .00584
Fe2+M     .5     .5     .5 .059 .00584
MgM       .5     .5     .5 .045 .00584
Fe3+M     .5     .5     .5 .015 .00584
TiM       .5     .5     .5 .003 .00584
MnM       .5     .5     .5 .003 .00584
O     .26352 .26352 .26352       .0123
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Hercynite
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Lavina B, Cesare B, Alvarez-Valero A M, Uchida H, Downs R T, Koneva A, Dera P
Download am/vol94/AM94_657.pdf
American Mineralogist 94 (2009) 657-665
Closure temperatures of intracrystalline ordering in anatectic and metamorphic
hercynite, Fe2+Al2O4
Note: Sample HO27BC
Locality: El Hoyazo, lavas of the Neogene Volcanic Province of SE Spain
_database_code_amcsd 0004921
8.1474 8.1474 8.1474 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z  occ   Uiso
Fe2+T   .125   .125   .125  .74 .00723
Fe3+T   .125   .125   .125  .02 .00723
AlT     .125   .125   .125  .16 .00723
MgT     .125   .125   .125  .07 .00723
AlM       .5     .5     .5 .881 .00504
Fe2+M     .5     .5     .5 .046 .00504
MgM       .5     .5     .5 .047 .00504
Fe3+M     .5     .5     .5 .020 .00504
TiM       .5     .5     .5 .002 .00504
MnM       .5     .5     .5 .003 .00504
ZnM       .5     .5     .5 .001 .00504
O     .26385 .26385 .26385       .0106
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Hercynite
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Lavina B, Cesare B, Alvarez-Valero A M, Uchida H, Downs R T, Koneva A, Dera P
Download am/vol94/AM94_657.pdf
American Mineralogist 94 (2009) 657-665
Closure temperatures of intracrystalline ordering in anatectic and metamorphic
hercynite, Fe2+Al2O4
Note: Sample 441A
Locality: the Anga metamorphic complex, Lake Baikal, Russia
_database_code_amcsd 0004922
8.1460 8.1460 8.1460 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z  occ   Uiso
Fe2+T   .125   .125   .125  .77 .00633
Fe3+T   .125   .125   .125  .01 .00633
AlT     .125   .125   .125  .11 .00633
MgT     .125   .125   .125  .10 .00633
AlM       .5     .5     .5 .928  .0044
Fe2+M     .5     .5     .5 .019  .0044
MgM       .5     .5     .5 .045  .0044
Fe3+M     .5     .5     .5 .011  .0044
O     .26471 .26471 .26471       .0071
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Hercynite
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Lavina B, Cesare B, Alvarez-Valero A M, Uchida H, Downs R T, Koneva A, Dera P
Download am/vol94/AM94_657.pdf
American Mineralogist 94 (2009) 657-665
Closure temperatures of intracrystalline ordering in anatectic and metamorphic
hercynite, Fe2+Al2O4
Note: Sample 441B
Locality: the Anga metamorphic complex, Lake Baikal, Russia
_database_code_amcsd 0004923
8.1451 8.1451 8.1451 90 90 90 *Fd3m
.125 .125 .125
atom       x      y      z  occ   Uiso
Fe2+T   .125   .125   .125  .76 .00582
Fe3+T   .125   .125   .125  .02 .00582
AlT     .125   .125   .125  .11 .00582
MgT     .125   .125   .125  .11 .00582
AlM       .5     .5     .5 .917 .00411
Fe2+M     .5     .5     .5 .013 .00411
MgM       .5     .5     .5 .048 .00411
Fe3+M     .5     .5     .5 .016 .00411
TiM       .5     .5     .5 .004 .00411
VM        .5     .5     .5 .002 .00411
O     .26464 .26464 .26464      .00724
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Hercynite
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Larsson L, O'Neill H St C, Annersten H
 
European Journal of Mineralogy 6 (1994) 39-51
Crystal chemistry of synthetic hercynite (FeAl2O4)
from XRD structural refinements and Mossbauer spectroscopy
Sample: T = 700 C, Sample HCl/1
_database_code_amcsd 0006509
8.1517 8.1517 8.1517 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ Biso
Fe    .125  .125  .125  .855  .56
Al    .125  .125  .125  .145  .56
Fe      .5    .5    .5 .0725  .48
Al      .5    .5    .5 .9275  .48
O    .2645 .2645 .2645        .90
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Hercynite
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Larsson L, O'Neill H St C, Annersten H
 
European Journal of Mineralogy 6 (1994) 39-51
Crystal chemistry of synthetic hercynite (FeAl2O4)
from XRD structural refinements and Mossbauer spectroscopy
Sample: T = 900 C, Sample HCl/2
_database_code_amcsd 0006510
8.1516 8.1516 8.1516 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ Biso
Fe    .125  .125  .125 .808  .58
Al    .125  .125  .125 .192  .58
Fe      .5    .5    .5 .096  .50
Al      .5    .5    .5 .904  .50
O    .2638 .2638 .2638      1.04
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Hercynite
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Larsson L, O'Neill H St C, Annersten H
 
European Journal of Mineralogy 6 (1994) 39-51
Crystal chemistry of synthetic hercynite (FeAl2O4)
from XRD structural refinements and Mossbauer spectroscopy
Sample: T = 950 C, Sample HCl/1
_database_code_amcsd 0006511
8.1514 8.1514 8.1514 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ Biso
Fe    .125  .125  .125  .803  .62
Al    .125  .125  .125  .197  .62
Fe      .5    .5    .5 .0985  .57
Al      .5    .5    .5 .9015  .57
O    .2640 .2640 .2640       1.04
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Hercynite
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Larsson L, O'Neill H St C, Annersten H
 
European Journal of Mineralogy 6 (1994) 39-51
Crystal chemistry of synthetic hercynite (FeAl2O4)
from XRD structural refinements and Mossbauer spectroscopy
Sample: T = 1000 C, Sample HCl/1
_database_code_amcsd 0006512
8.1511 8.1511 8.1511 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ Biso
Fe    .125  .125  .125 .796  .52
Al    .125  .125  .125 .204  .52
Fe      .5    .5    .5 .102  .50
Al      .5    .5    .5 .898  .50
O    .2639 .2639 .2639       .98
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Hercynite
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Larsson L, O'Neill H St C, Annersten H
 
European Journal of Mineralogy 6 (1994) 39-51
Crystal chemistry of synthetic hercynite (FeAl2O4)
from XRD structural refinements and Mossbauer spectroscopy
Sample: T = 1100 C, Sample HCl/1
_database_code_amcsd 0006513
8.1501 8.1501 8.1501 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ Biso
Fe    .125  .125  .125  .807  .56
Al    .125  .125  .125  .193  .56
Fe      .5    .5    .5 .0965  .48
Al      .5    .5    .5 .9035  .48
O    .2639 .2639 .2639        .98
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Hercynite
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Larsson L, O'Neill H St C, Annersten H
 
European Journal of Mineralogy 6 (1994) 39-51
Crystal chemistry of synthetic hercynite (FeAl2O4)
from XRD structural refinements and Mossbauer spectroscopy
Sample: T = 500 C, Sample BG2/1
_database_code_amcsd 0006514
8.1513 8.1513 8.1513 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ Biso
Fe    .125  .125  .125  .899  .68
Al    .125  .125  .125  .101  .68
Fe      .5    .5    .5 .0505  .51
Al      .5    .5    .5 .9495  .51
O    .2654 .2654 .2654        .88
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Hercynite
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Larsson L, O'Neill H St C, Annersten H
 
European Journal of Mineralogy 6 (1994) 39-51
Crystal chemistry of synthetic hercynite (FeAl2O4)
from XRD structural refinements and Mossbauer spectroscopy
Sample: T = 500 C, Sample BG2/2
_database_code_amcsd 0006515
8.1518 8.1518 8.1518 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ Biso
Fe    .125  .125  .125 .896  .43
Al    .125  .125  .125 .104  .43
Fe      .5    .5    .5 .052  .31
Al      .5    .5    .5 .948  .31
O    .2648 .2648 .2648       .61
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Hercynite
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Larsson L, O'Neill H St C, Annersten H
 
European Journal of Mineralogy 6 (1994) 39-51
Crystal chemistry of synthetic hercynite (FeAl2O4)
from XRD structural refinements and Mossbauer spectroscopy
Sample: T = 550 C, Sample BG2/1
_database_code_amcsd 0006516
8.1522 8.1522 8.1522 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ Biso
Fe    .125  .125  .125 .882  .47
Al    .125  .125  .125 .118  .47
Fe      .5    .5    .5 .059  .35
Al      .5    .5    .5 .941  .35
O    .2644 .2644 .2644       .72
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Hercynite
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Larsson L, O'Neill H St C, Annersten H
 
European Journal of Mineralogy 6 (1994) 39-51
Crystal chemistry of synthetic hercynite (FeAl2O4)
from XRD structural refinements and Mossbauer spectroscopy
Sample: T = 600 C, Sample BG2/1
_database_code_amcsd 0006517
8.1521 8.1521 8.1521 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ Biso
Fe    .125  .125  .125  .875  .52
Al    .125  .125  .125  .125  .52
Fe      .5    .5    .5 .0625  .41
Al      .5    .5    .5 .9375  .41
O    .2646 .2646 .2646        .81
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Hercynite
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Larsson L, O'Neill H St C, Annersten H
 
European Journal of Mineralogy 6 (1994) 39-51
Crystal chemistry of synthetic hercynite (FeAl2O4)
from XRD structural refinements and Mossbauer spectroscopy
Sample: T = 650 C, Sample BG2/1
_database_code_amcsd 0006518
8.1522 8.1522 8.1522 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ Biso
Fe    .125  .125  .125 .856  .47
Al    .125  .125  .125 .144  .47
Fe      .5    .5    .5 .072  .40
Al      .5    .5    .5 .928  .40
O    .2643 .2643 .2643       .75
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Hercynite
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Larsson L, O'Neill H St C, Annersten H
 
European Journal of Mineralogy 6 (1994) 39-51
Crystal chemistry of synthetic hercynite (FeAl2O4)
from XRD structural refinements and Mossbauer spectroscopy
Sample: T = 701 C, Sample BG2/1
_database_code_amcsd 0006519
8.1525 8.1525 8.1525 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ Biso
Fe    .125  .125  .125  .853  .50
Al    .125  .125  .125  .147  .50
Fe      .5    .5    .5 .0735  .39
Al      .5    .5    .5 .9265  .39
O    .2644 .2644 .2644        .81
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Hercynite
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Larsson L, O'Neill H St C, Annersten H
 
European Journal of Mineralogy 6 (1994) 39-51
Crystal chemistry of synthetic hercynite (FeAl2O4)
from XRD structural refinements and Mossbauer spectroscopy
Sample: T = 750 C, Sample BG2/1
_database_code_amcsd 0006520
8.1523 8.1523 8.1523 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ Biso
Fe    .125  .125  .125 .844  .58
Al    .125  .125  .125 .156  .58
Fe      .5    .5    .5 .078  .47
Al      .5    .5    .5 .922  .47
O    .2642 .2642 .2642       .95
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Hercynite
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Larsson L, O'Neill H St C, Annersten H
 
European Journal of Mineralogy 6 (1994) 39-51
Crystal chemistry of synthetic hercynite (FeAl2O4)
from XRD structural refinements and Mossbauer spectroscopy
Sample: T = 800 C, Sample BG2/1
_database_code_amcsd 0006521
8.1526 8.1526 8.1526 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ Biso
Fe    .125  .125  .125 .826  .57
Al    .125  .125  .125 .174  .57
Fe      .5    .5    .5 .087  .48
Al      .5    .5    .5 .913  .48
O    .2642 .2642 .2642       .94
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Hercynite
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Larsson L, O'Neill H St C, Annersten H
 
European Journal of Mineralogy 6 (1994) 39-51
Crystal chemistry of synthetic hercynite (FeAl2O4)
from XRD structural refinements and Mossbauer spectroscopy
Sample: T = 850 C, Sample BG2/1
_database_code_amcsd 0006522
8.1522 8.1522 8.1522 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ Biso
Fe    .125  .125  .125  .821  .53
Al    .125  .125  .125  .179  .53
Fe      .5    .5    .5 .0895  .43
Al      .5    .5    .5 .9105  .43
O    .2641 .2641 .2641        .94
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Hercynite
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Larsson L, O'Neill H St C, Annersten H
 
European Journal of Mineralogy 6 (1994) 39-51
Crystal chemistry of synthetic hercynite (FeAl2O4)
from XRD structural refinements and Mossbauer spectroscopy
Sample: T = 900 C, Sample BG2/1
_database_code_amcsd 0006523
8.1522 8.1522 8.1522 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ Biso
Fe    .125  .125  .125  .813  .57
Al    .125  .125  .125  .187  .57
Fe      .5    .5    .5 .0935  .48
Al      .5    .5    .5 .9065  .48
O    .2641 .2641 .2641       1.00
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Hercynite
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Larsson L, O'Neill H St C, Annersten H
 
European Journal of Mineralogy 6 (1994) 39-51
Crystal chemistry of synthetic hercynite (FeAl2O4)
from XRD structural refinements and Mossbauer spectroscopy
Sample: T = 900 C, Sample BG2/2
_database_code_amcsd 0006524
8.1523 8.1523 8.1523 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ Biso
Fe    .125  .125  .125  .82  .54
Al    .125  .125  .125 .180  .54
Fe      .5    .5    .5  .09  .42
Al      .5    .5    .5  .91  .42
O    .2640 .2640 .2640       .95
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Hercynite
Download hom/hercynite.pdf
Larsson L, O'Neill H St C, Annersten H
 
European Journal of Mineralogy 6 (1994) 39-51
Crystal chemistry of synthetic hercynite (FeAl2O4)
from XRD structural refinements and Mossbauer spectroscopy
Sample: T = 950 C, Sample BG2/1
_database_code_amcsd 0006525
8.1520 8.1520 8.1520 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ Biso
Fe    .125  .125  .125 .812  .51
Al    .125  .125  .125 .188  .51
Fe      .5    .5    .5 .094  .43
Al      .5    .5    .5 .906  .43
O    .2640 .2640 .2640       .96
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Hercynite
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Larsson L, O'Neill H St C, Annersten H
 
European Journal of Mineralogy 6 (1994) 39-51
Crystal chemistry of synthetic hercynite (FeAl2O4)
from XRD structural refinements and Mossbauer spectroscopy
Sample: T = 1100 C, Sample BG2/1
_database_code_amcsd 0006526
8.1507 8.1507 8.1507 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ Biso
Fe    .125  .125  .125 .816  .57
Al    .125  .125  .125 .184  .57
Fe      .5    .5    .5 .092  .48
Al      .5    .5    .5 .908  .48
O    .2639 .2639 .2639      1.00
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View JMOL 3-D Structure (permalink)
 
Hercynite
Download hom/hercynite.pdf
Larsson L, O'Neill H St C, Annersten H
 
European Journal of Mineralogy 6 (1994) 39-51
Crystal chemistry of synthetic hercynite (FeAl2O4)
from XRD structural refinements and Mossbauer spectroscopy
Sample: T = 1200 C, Sample BG2/1
_database_code_amcsd 0006527
8.1507 8.1507 8.1507 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ Biso
Fe    .125  .125  .125  .821  .56
Al    .125  .125  .125  .179  .56
Fe      .5    .5    .5 .0895  .45
Al      .5    .5    .5 .9105  .45
O    .2639 .2639 .2639        .94
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Hercynite
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Waerenborgh J C, Figueiredo M O, Cabral J M P, Pereira L C J
 
Physics and Chemistry of Minerals 21 (1994) 460-468
Powder XRD structure refinements and 57Fe Mossbauer effect study
of synthetic Zn1-xFexAl2O4 (o
Sample: 0.6, annealed at 725 degrees C for 48 hours, then quenched
_database_code_amcsd 0007892
8.1288 8.1288 8.1288 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ Biso
AlT   .125  .125  .125  .055  .50
FeT   .125  .125  .125  .545  .50
ZnT   .125  .125  .125    .4  .50
AlM     .5    .5    .5 .9725  .42
FeM     .5    .5    .5 .0275  .42
O    .2640 .2640 .2640        .77
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Hercynite
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Waerenborgh J C, Figueiredo M O, Cabral J M P, Pereira L C J
 
Physics and Chemistry of Minerals 21 (1994) 460-468
Powder XRD structure refinements and 57Fe Mossbauer effect study
of synthetic Zn1-xFexAl2O4 (o
Sample: 1.0, annealed at 725 degrees C for 48 hours, then quenched
_database_code_amcsd 0007893
8.1547 8.1547 8.1547 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ Biso
AlT   .125  .125  .125  .135  .57
FeT   .125  .125  .125  .865  .57
AlM     .5    .5    .5 .9325  .36
FeM     .5    .5    .5 .0675  .36
O    .2642 .2642 .2642        .87
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Hercynite
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Waerenborgh J C, Figueiredo M O, Cabral J M P, Pereira L C J
 
Physics and Chemistry of Minerals 21 (1994) 460-468
Powder XRD structure refinements and 57Fe Mossbauer effect study
of synthetic Zn1-xFexAl2O4 (o
Sample: 0.6, annealed at 1075 degrees C for 48 hours, then quenched
_database_code_amcsd 0007896
8.1282 8.1282 8.1282 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z   occ Biso
AlT   .125  .125  .125  .075  .51
FeT   .125  .125  .125  .525  .51
ZnT   .125  .125  .125    .4  .51
AlM     .5    .5    .5 .9625  .43
FeM     .5    .5    .5 .0375  .43
O    .2639 .2639 .2639        .83
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Hercynite
Download hom/hercynite.pdf
Waerenborgh J C, Figueiredo M O, Cabral J M P, Pereira L C J
 
Physics and Chemistry of Minerals 21 (1994) 460-468
Powder XRD structure refinements and 57Fe Mossbauer effect study
of synthetic Zn1-xFexAl2O4 (o
Sample: 1.0, annealed at 1075 degrees C for 48 hours, then quenched
_database_code_amcsd 0007897
8.1546 8.1546 8.1546 90 90 90 *Fd3m
.125 .125 .125
atom     x     y     z  occ Biso
AlT   .125  .125  .125 .156  .57
FeT   .125  .125  .125 .844  .57
AlM     .5    .5    .5 .922  .44
FeM     .5    .5    .5 .078  .44
O    .2637 .2637 .2637       .99
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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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