American Mineralogist Crystal Structure Database

10 matching records for this search.

AlNbO4
 
Ardit M, Dondi M, Cruciani G
 
American Mineralogist 97 (2012) 910-917
Structural stability, cation ordering, and local
relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join
Note: Sample label: N00
Locality: synthetic
_database_code_amcsd 0019051
12.1545 3.7350 6.4884 90 107.62 90 C2/m
atom      x y      z occ   Uiso
Al1  .19362 0 .30116  .8  .0127
Nb1  .19362 0 .30116  .2  .0127
Al2  .10250 0 .73176  .2 .00683
Nb2  .10250 0 .73176  .8 .00683
O1    .1358 0  .0099      .0131
O2    .0564 0  .3636      .0217
O3    .3615 0  .2985      .0139
O4    .2622 0  .6432      .0015
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AlNbO4
 
Ardit M, Dondi M, Cruciani G
 
American Mineralogist 97 (2012) 910-917
Structural stability, cation ordering, and local
relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join
Note: Sample label: N06
Locality: synthetic
_database_code_amcsd 0019052
12.1620 3.7454 6.4910 90 107.64 90 C2/m
atom      x y      z occ   Uiso
Al1  .19556 0 .30333  .8  .0157
Nb1  .19556 0 .30333  .2  .0157
Al2  .10273 0 .73216 .14 .00800
Nb2  .10273 0 .73216  .8 .00800
O1    .1384 0  .0152      .0160
O2    .0575 0  .3678      .0135
O3    .3621 0  .2956      .0162
O4    .2624 0  .6456      .0116
Cr2  .10273 0 .73216 .06 .00800
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View JMOL 3-D Structure (permalink)
 
AlNbO4
 
Ardit M, Dondi M, Cruciani G
 
American Mineralogist 97 (2012) 910-917
Structural stability, cation ordering, and local
relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join
Note: Sample label: N12
Locality: synthetic
_database_code_amcsd 0019053
12.1724 3.7550 6.4957 90 107.67 90 C2/m
atom      x y      z  occ   Uiso
Al1  .19627 0 .30561   .8  .0151
Nb1  .19627 0 .30561   .2  .0151
Al2  .10306 0 .73272 .075 .00611
Nb2  .10306 0 .73272   .8 .00611
O1    .1370 0  .0146       .0146
O2    .0572 0  .3660       .0112
O3    .3604 0  .2955       .0223
O4    .2622 0  .6471       .0089
Cr2  .10306 0 .73272 .125 .00611
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View JMOL 3-D Structure (permalink)
 
AlNbO4
 
Ardit M, Dondi M, Cruciani G
 
American Mineralogist 97 (2012) 910-917
Structural stability, cation ordering, and local
relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join
Note: Sample label: N25
Locality: synthetic
_database_code_amcsd 0019054
12.1881 3.7726 6.5033 90 107.70 90 C2/m
atom      x y      z occ  Uiso
Al1  .19791 0 .31008 .76 .0168
Nb1  .19791 0 .31008  .2 .0168
Nb2  .10372 0 .73226  .8 .0047
O1    .1365 0  .0126     .0221
O2    .0560 0  .3648     .0169
O3    .3615 0  .2981     .0099
O4    .2629 0  .6466     .0088
Cr1  .19791 0 .31008 .04 .0168
Cr2  .10372 0 .73226  .2 .0047
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View JMOL 3-D Structure (permalink)
 
AlNbO4
 
Ardit M, Dondi M, Cruciani G
 
American Mineralogist 97 (2012) 910-917
Structural stability, cation ordering, and local
relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join
Note: Sample label: N37
Locality: synthetic
_database_code_amcsd 0019055
12.1886 3.7748 6.5033 90 107.72 90 C2/m
atom      x y      z occ  Uiso
Al1  .19843 0  .3118 .76 .0220
Nb1  .19843 0  .3118  .2 .0220
Nb2  .10369 0 .73288  .8 .0020
O1    .1365 0  .0112     .0168
O2    .0557 0  .3665     .0043
O3    .3608 0  .2923     .0115
O4    .2648 0  .6484     .0088
Cr1  .19843 0  .3118 .04 .0220
Cr2  .10369 0 .73288  .2 .0020
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View JMOL 3-D Structure (permalink)
 
Gahnite
Download hom/gahnite.pdf
Ardit M, Cruciani G, Dondi M
 
American Mineralogist 97 (2012) 1394-1401
Structural relaxation in tetrahedrally coordinated Co2+ along
the gahnite-Co-aluminate spinel solid solution
Note: inversion parameter = 0.000, Co content = 0.00 apfu
Locality: synthetic
_database_code_amcsd 0019259
8.08514 8.08514 8.08514 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  Uiso
ZnT    .125   .125   .125 .0053
AlM      .5     .5     .5 .0028
O    .26446 .26446 .26446 .0065
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Gahnite
Download hom/gahnite.pdf
Ardit M, Cruciani G, Dondi M
 
American Mineralogist 97 (2012) 1394-1401
Structural relaxation in tetrahedrally coordinated Co2+ along
the gahnite-Co-aluminate spinel solid solution
Note: inversion parameter = 0.025, Co content = 0.25 apfu
Locality: synthetic
_database_code_amcsd 0019260
8.09014 8.09014 8.09014 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
ZnT    .125   .125   .125   .75 .0050
CoT    .125   .125   .125  .225 .0050
AlT    .125   .125   .125  .025 .0050
AlM      .5     .5     .5 .9875 .0044
CoM      .5     .5     .5 .0125 .0044
O    .26430 .26430 .26430       .0062
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Gahnite
Download hom/gahnite.pdf
Ardit M, Cruciani G, Dondi M
 
American Mineralogist 97 (2012) 1394-1401
Structural relaxation in tetrahedrally coordinated Co2+ along
the gahnite-Co-aluminate spinel solid solution
Note: inversion parameter = 0.035, Co content = 0.50 apfu
Locality: synthetic
_database_code_amcsd 0019261
8.09491 8.09491 8.09491 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
ZnT    .125   .125   .125    .5 .0052
CoT    .125   .125   .125  .465 .0052
AlT    .125   .125   .125  .035 .0052
AlM      .5     .5     .5 .9825 .0045
CoM      .5     .5     .5 .0175 .0045
O    .26415 .26415 .26415       .0053
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View JMOL 3-D Structure (permalink)
 
Zn.25Co.75Al2O4
 
Ardit M, Cruciani G, Dondi M
 
American Mineralogist 97 (2012) 1394-1401
Structural relaxation in tetrahedrally coordinated Co2+ along
the gahnite-Co-aluminate spinel solid solution
Note: inversion parameter = 0.049, Co content = 0.75 apfu
Locality: synthetic
_database_code_amcsd 0019262
8.10011 8.10011 8.10011 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z   occ  Uiso
ZnT    .125   .125   .125   .25 .0048
CoT    .125   .125   .125  .701 .0048
AlT    .125   .125   .125  .049 .0048
AlM      .5     .5     .5 .9755 .0058
CoM      .5     .5     .5 .0245 .0058
O    .26397 .26397 .26397       .0080
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View JMOL 3-D Structure (permalink)
 
CoAl2O4
 
Ardit M, Cruciani G, Dondi M
 
American Mineralogist 97 (2012) 1394-1401
Structural relaxation in tetrahedrally coordinated Co2+ along
the gahnite-Co-aluminate spinel solid solution
Note: inversion parameter = 0.072, Co content = 1.00 apfu
Locality: synthetic
_database_code_amcsd 0019263
8.10559 8.10559 8.10559 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ  Uiso
CoT    .125   .125   .125 .928 .0050
AlT    .125   .125   .125 .072 .0050
AlM      .5     .5     .5 .964 .0063
CoM      .5     .5     .5 .036 .0063
O    .26384 .26384 .26384      .0079
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 10
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