|
Hercynite |
|
Hill R J |
|
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Hercynite |
|
Harrison R J, Redfern S A T, O'Neill H St C |
|
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Hercynite |
|
Harrison R J, Redfern S A T, O'Neill H St C |
|
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 |
|
Harrison R J, Redfern S A T, O'Neill H St C |
|
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Hercynite |
|
Harrison R J, Redfern S A T, O'Neill H St C |
|
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 |
|
Harrison R J, Redfern S A T, O'Neill H St C |
|
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 |
|
Harrison R J, Redfern S A T, O'Neill H St C |
|
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 |
|
Harrison R J, Redfern S A T, O'Neill H St C |
|
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 |
|
Harrison R J, Redfern S A T, O'Neill H St C |
|
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 |
|
Harrison R J, Redfern S A T, O'Neill H St C |
|
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 |
|
Harrison R J, Redfern S A T, O'Neill H St C |
|
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 |
|
Harrison R J, Redfern S A T, O'Neill H St C |
|
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 |
|
Harrison R J, Redfern S A T, O'Neill H St C |
|
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 |
|
Harrison R J, Redfern S A T, O'Neill H St C |
|
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 |
|
Harrison R J, Redfern S A T, O'Neill H St C |
|
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 |
|
Harrison R J, Redfern S A T, O'Neill H St C |
|
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 |
|
Harrison R J, Redfern S A T, O'Neill H St C |
|
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 |
|
Harrison R J, Redfern S A T, O'Neill H St C |
|
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 |
|
Harrison R J, Redfern S A T, O'Neill H St C |
|
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 |
|
Andreozzi G B, Lucchesi S |
|
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 |
|
Andreozzi G B, Lucchesi S |
|
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 |
|
Andreozzi G B, Lucchesi S |
|
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 |
|
Andreozzi G B, Lucchesi S |
|
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 |
|
Andreozzi G B, Lucchesi S |
|
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 |
|
Andreozzi G B, Lucchesi S |
|
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 |
|
|
| 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 |
|
Andreozzi G B, Lucchesi S |
|
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 |
|
|
| 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 |
|
Andreozzi G B, Lucchesi S |
|
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 |
|
|
| 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 |
|
Andreozzi G B, Lucchesi S |
|
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 |
|
|
| 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 |
|
Andreozzi G B, Lucchesi S |
|
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 |
|
|
| 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 |
|
Lavina B, Cesare B, Alvarez-Valero A M, Uchida H, Downs R T, Koneva A, Dera P |
|
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 |
|
|
| 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 |
|
Lavina B, Cesare B, Alvarez-Valero A M, Uchida H, Downs R T, Koneva A, Dera P |
|
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 |
|
|
| 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 |
|
Lavina B, Cesare B, Alvarez-Valero A M, Uchida H, Downs R T, Koneva A, Dera P |
|
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 |
|
|
| 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 |
|
Lavina B, Cesare B, Alvarez-Valero A M, Uchida H, Downs R T, Koneva A, Dera P |
|
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 |
|
|
| 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 |
|
Lavina B, Cesare B, Alvarez-Valero A M, Uchida H, Downs R T, Koneva A, Dera P |
|
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 |
|
|
| 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 |
|
Lavina B, Cesare B, Alvarez-Valero A M, Uchida H, Downs R T, Koneva A, Dera P |
|
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 |
|
|
| 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 |
|
Lavina B, Cesare B, Alvarez-Valero A M, Uchida H, Downs R T, Koneva A, Dera P |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| 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 |
|
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 |
|
|
| Download AMC data (View Text File)
|