American Mineralogist Crystal Structure Database

15 matching records for this search.

Spinel
Download hom/spinel.pdf
Bosi F, Halenius U, D'Ippolito V, Andreozzi G B
 
American Mineralogist 97 (2012) 1834-1840
Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II.
Cation ordering over short-range and long-range scales
Sample: CoAl0.5
Locality: synthetic
_database_code_amcsd 0019574
8.0851 8.0851 8.0851 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)
CoT    .125   .125   .125  .06  .0048  .0048  .0048       0       0       0
MgT    .125   .125   .125  .70  .0048  .0048  .0048       0       0       0
AlT    .125   .125   .125  .24  .0048  .0048  .0048       0       0       0
CoM      .5     .5     .5 .005  .0045  .0045  .0045 -.00013 -.00013 -.00013
MgM      .5     .5     .5 .115  .0045  .0045  .0045 -.00013 -.00013 -.00013
AlM      .5     .5     .5  .88  .0045  .0045  .0045 -.00013 -.00013 -.00013
O    .26209 .26209 .26209       .0078  .0078  .0078  .00021  .00021  .00021
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View JMOL 3-D Structure (permalink)
 
Spinel
Download hom/spinel.pdf
Bosi F, Halenius U, D'Ippolito V, Andreozzi G B
 
American Mineralogist 97 (2012) 1834-1840
Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II.
Cation ordering over short-range and long-range scales
Sample: CoAl1
Locality: synthetic
_database_code_amcsd 0019575
8.0848 8.0848 8.0848 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)
CoT    .125   .125   .125  .07  .0046  .0046  .0046       0       0       0
MgT    .125   .125   .125  .69  .0046  .0046  .0046       0       0       0
AlT    .125   .125   .125  .23  .0046  .0046  .0046       0       0       0
CoM      .5     .5     .5 .005  .0043  .0043  .0043 -.00013 -.00013 -.00013
MgM      .5     .5     .5  .11  .0043  .0043  .0043 -.00013 -.00013 -.00013
AlM      .5     .5     .5 .885  .0043  .0043  .0043 -.00013 -.00013 -.00013
O    .26216 .26216 .26216       .0076  .0076  .0076  .00017  .00017  .00017
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View JMOL 3-D Structure (permalink)
 
Spinel
Download hom/spinel.pdf
Bosi F, Halenius U, D'Ippolito V, Andreozzi G B
 
American Mineralogist 97 (2012) 1834-1840
Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II.
Cation ordering over short-range and long-range scales
Sample: CoAl10
Locality: synthetic
_database_code_amcsd 0019576
8.0840 8.0840 8.0840 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)
CoT    .125   .125   .125  .09  .0047  .0047  .0047       0       0       0
MgT    .125   .125   .125  .68  .0047  .0047  .0047       0       0       0
AlT    .125   .125   .125  .23  .0047  .0047  .0047       0       0       0
CoM      .5     .5     .5  .01  .0045  .0045  .0045 -.00011 -.00011 -.00011
MgM      .5     .5     .5 .105  .0045  .0045  .0045 -.00011 -.00011 -.00011
AlM      .5     .5     .5 .885  .0045  .0045  .0045 -.00011 -.00011 -.00011
O    .26216 .26216 .26216       .0076  .0076  .0076  .00017  .00017  .00017
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View JMOL 3-D Structure (permalink)
 
Spinel
Download hom/spinel.pdf
Bosi F, Halenius U, D'Ippolito V, Andreozzi G B
 
American Mineralogist 97 (2012) 1834-1840
Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II.
Cation ordering over short-range and long-range scales
Sample: CoAl14
Locality: synthetic
_database_code_amcsd 0019577
8.0875 8.0875 8.0875 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)
CoT    .125   .125   .125 .23  .0049  .0049  .0049       0       0       0
MgT    .125   .125   .125 .55  .0049  .0049  .0049       0       0       0
AlT    .125   .125   .125 .22  .0049  .0049  .0049       0       0       0
CoM      .5     .5     .5 .01  .0043  .0043  .0043 -.00016 -.00016 -.00016
MgM      .5     .5     .5 .10  .0043  .0043  .0043 -.00016 -.00016 -.00016
AlM      .5     .5     .5 .89  .0043  .0043  .0043 -.00016 -.00016 -.00016
O    .26242 .26242 .26242      .0076  .0076  .0076  .00015  .00015  .00015
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View JMOL 3-D Structure (permalink)
 
Spinel
Download hom/spinel.pdf
Bosi F, Halenius U, D'Ippolito V, Andreozzi G B
 
American Mineralogist 97 (2012) 1834-1840
Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II.
Cation ordering over short-range and long-range scales
Sample: CoAl20
Locality: synthetic
_database_code_amcsd 0019578
8.0902 8.0902 8.0902 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)
CoT    .125   .125   .125  .31  .0050  .0050  .0050       0       0       0
MgT    .125   .125   .125  .48  .0050  .0050  .0050       0       0       0
AlT    .125   .125   .125  .21  .0050  .0050  .0050       0       0       0
CoM      .5     .5     .5 .015  .0043  .0043  .0043 -.00018 -.00018 -.00018
MgM      .5     .5     .5  .09  .0043  .0043  .0043 -.00018 -.00018 -.00018
AlM      .5     .5     .5 .895  .0043  .0043  .0043 -.00018 -.00018 -.00018
O    .26249 .26249 .26249       .0076  .0076  .0076   .0002   .0002   .0002
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Spinel
Download hom/spinel.pdf
Bosi F, Halenius U, D'Ippolito V, Andreozzi G B
 
American Mineralogist 97 (2012) 1834-1840
Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II.
Cation ordering over short-range and long-range scales
Sample: CoAl34
Locality: synthetic
_database_code_amcsd 0019579
8.0914 8.0914 8.0914 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)
CoT    .125   .125   .125  .44  .0052  .0052  .0052       0       0       0
MgT    .125   .125   .125  .37  .0052  .0052  .0052       0       0       0
AlT    .125   .125   .125  .19  .0052  .0052  .0052       0       0       0
CoM      .5     .5     .5  .02  .0044  .0044  .0044 -.00021 -.00021 -.00021
MgM      .5     .5     .5 .075  .0044  .0044  .0044 -.00021 -.00021 -.00021
AlM      .5     .5     .5 .905  .0044  .0044  .0044 -.00021 -.00021 -.00021
O    .26281 .26281 .26281       .0078  .0078  .0078   .0002   .0002   .0002
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View JMOL 3-D Structure (permalink)
 
(Co.59Mg.41)Al2O4
 
Bosi F, Halenius U, D'Ippolito V, Andreozzi G B
 
American Mineralogist 97 (2012) 1834-1840
Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II.
Cation ordering over short-range and long-range scales
Sample: CoAl45
Locality: synthetic
_database_code_amcsd 0019580
8.0943 8.0943 8.0943 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)
CoT    .125   .125   .125  .54  .0048  .0048  .0048       0       0       0
MgT    .125   .125   .125  .30  .0048  .0048  .0048       0       0       0
AlT    .125   .125   .125  .17  .0048  .0048  .0048       0       0       0
CoM      .5     .5     .5 .025  .0039  .0039  .0039 -.00020 -.00020 -.00020
MgM      .5     .5     .5 .055  .0039  .0039  .0039 -.00020 -.00020 -.00020
AlM      .5     .5     .5 .915  .0039  .0039  .0039 -.00020 -.00020 -.00020
O    .26308 .26308 .26308       .0071  .0071  .0071   .0001   .0001   .0001
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View JMOL 3-D Structure (permalink)
 
(Co.63Mg.37)Al2O4
 
Bosi F, Halenius U, D'Ippolito V, Andreozzi G B
 
American Mineralogist 97 (2012) 1834-1840
Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II.
Cation ordering over short-range and long-range scales
Sample: CoAl50
Locality: synthetic
_database_code_amcsd 0019581
8.0957 8.0957 8.0957 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)
CoT    .125   .125   .125  .52  .0056  .0056  .0056       0       0       0
MgT    .125   .125   .125  .27  .0056  .0056  .0056       0       0       0
AlT    .125   .125   .125  .21  .0056  .0056  .0056       0       0       0
CoM      .5     .5     .5 .055  .0045  .0045  .0045 -.00021 -.00021 -.00021
MgM      .5     .5     .5  .05  .0045  .0045  .0045 -.00021 -.00021 -.00021
AlM      .5     .5     .5 .895  .0045  .0045  .0045 -.00021 -.00021 -.00021
O    .26251 .26251 .26251       .0088  .0088  .0088   .0002   .0002   .0002
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View JMOL 3-D Structure (permalink)
 
(Co.76Mg.25)Al2O4
 
Bosi F, Halenius U, D'Ippolito V, Andreozzi G B
 
American Mineralogist 97 (2012) 1834-1840
Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II.
Cation ordering over short-range and long-range scales
Sample: CoAl67
Locality: synthetic
_database_code_amcsd 0019582
8.1010 8.1010 8.1010 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)
CoT    .125   .125   .125  .67 .00543 .00543 .00543       0       0       0
MgT    .125   .125   .125  .17 .00543 .00543 .00543       0       0       0
AlT    .125   .125   .125  .16 .00543 .00543 .00543       0       0       0
CoM      .5     .5     .5 .045  .0045  .0045  .0045 -.00027 -.00027 -.00027
MgM      .5     .5     .5  .04  .0045  .0045  .0045 -.00027 -.00027 -.00027
AlM      .5     .5     .5  .92  .0045  .0045  .0045 -.00027 -.00027 -.00027
O    .26321 .26321 .26321       .0078  .0078  .0078 -.00003 -.00003 -.00003
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View JMOL 3-D Structure (permalink)
 
CoAl2O4
 
Bosi F, Halenius U, D'Ippolito V, Andreozzi G B
 
American Mineralogist 97 (2012) 1834-1840
Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II.
Cation ordering over short-range and long-range scales
Sample: CoAl100
Locality: synthetic
_database_code_amcsd 0019583
8.1047 8.1047 8.1047 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)
CoT    .125   .125   .125  .87 .00524 .00524 .00524       0       0       0
AlT    .125   .125   .125  .13 .00524 .00524 .00524       0       0       0
CoM      .5     .5     .5 .065  .0040  .0040  .0040 -.00028 -.00028 -.00028
AlM      .5     .5     .5 .935  .0040  .0040  .0040 -.00028 -.00028 -.00028
O    .26355 .26355 .26355       .0074  .0074  .0074  -.0002  -.0002  -.0002
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View JMOL 3-D Structure (permalink)
 
Gahnite
Download hom/gahnite.pdf
Fregola R A, Skogby H, Bosi F, D'Ippolito V, Andreozzi G B, Halenius U
 
American Mineralogist 99 (2014) 2187-2195
Optical absorption spectroscopy study of the causes for color variations in natural
Fe-bearing gahnite: Insights from iron valency and site distribution data
Note: Sample Ni8967d
Locality: Jemaa, Kaduna, Nigeria
_database_code_amcsd 0020408
8.0912 8.0912 8.0912 90 90 90 *Fd-3m
.125 .125 .125
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
ZnT    .125   .125   .125  .97 .00502 .00502 .00502 .00502       0       0       0
FeT    .125   .125   .125  .03 .00502 .00502 .00502 .00502       0       0       0
AlM      .5     .5     .5 .995 .00426 .00426 .00426 .00426 -.00034 -.00034 -.00034
FeM      .5     .5     .5 .005 .00426 .00426 .00426 .00426 -.00034 -.00034 -.00034
O    .26413 .26413 .26413      .00424 .00424 .00424 .00424 -.00026 -.00026 -.00026
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View JMOL 3-D Structure (permalink)
 
Gahnite
Download hom/gahnite.pdf
Fregola R A, Skogby H, Bosi F, D'Ippolito V, Andreozzi G B, Halenius U
 
American Mineralogist 99 (2014) 2187-2195
Optical absorption spectroscopy study of the causes for color variations in natural
Fe-bearing gahnite: Insights from iron valency and site distribution data
Note: Sample Ni8967e
Locality: Jemaa, Kaduna, Nigeria
_database_code_amcsd 0020409
8.0954 8.0954 8.0954 90 90 90 *Fd-3m
.125 .125 .125
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
ZnT    .125   .125   .125  .91 .00440 .00440 .00440 .00440       0       0       0
FeT    .125   .125   .125  .09 .00440 .00440 .00440 .00440       0       0       0
AlM      .5     .5     .5  .99 .00354 .00354 .00354 .00354 -.00035 -.00035 -.00035
FeM      .5     .5     .5 .005 .00354 .00354 .00354 .00354 -.00035 -.00035 -.00035
MgM      .5     .5     .5 .005 .00354 .00354 .00354 .00354 -.00035 -.00035 -.00035
O    .26413 .26413 .26413      .00354 .00354 .00354 .00354 -.00023 -.00023 -.00023
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View JMOL 3-D Structure (permalink)
 
Gahnite
Download hom/gahnite.pdf
Fregola R A, Skogby H, Bosi F, D'Ippolito V, Andreozzi G B, Halenius U
 
American Mineralogist 99 (2014) 2187-2195
Optical absorption spectroscopy study of the causes for color variations in natural
Fe-bearing gahnite: Insights from iron valency and site distribution data
Note: Sample Sp2781_6a
Locality: Migiandone mine, Val d'Ossola, Italy
_database_code_amcsd 0020410
8.0944 8.0944 8.0944 90 90 90 *Fd-3m
.125 .125 .125
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
ZnT    .125   .125   .125  .91 .00538 .00538 .00538 .00538       0       0       0
FeT    .125   .125   .125  .09 .00538 .00538 .00538 .00538       0       0       0
AlM      .5     .5     .5  .99 .00455 .00455 .00455 .00455 -.00033 -.00033 -.00033
FeM      .5     .5     .5 .005 .00455 .00455 .00455 .00455 -.00033 -.00033 -.00033
MgM      .5     .5     .5 .005 .00455 .00455 .00455 .00455 -.00033 -.00033 -.00033
O    .26420 .26420 .26420      .00450 .00450 .00450 .00450 -.00022 -.00022 -.00022
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Gahnite
Download hom/gahnite.pdf
Fregola R A, Skogby H, Bosi F, D'Ippolito V, Andreozzi G B, Halenius U
 
American Mineralogist 99 (2014) 2187-2195
Optical absorption spectroscopy study of the causes for color variations in natural
Fe-bearing gahnite: Insights from iron valency and site distribution data
Note: Sample Sp2781_6c
Locality: Migiandone mine, Val d'Ossola, Italy
_database_code_amcsd 0020411
8.1103 8.1103 8.1103 90 90 90 *Fd-3m
.125 .125 .125
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
ZnT    .125   .125   .125  .70 .00611 .00611 .00611 .00611       0       0       0
FeT    .125   .125   .125  .25 .00611 .00611 .00611 .00611       0       0       0
FeT    .125   .125   .125  .05 .00611 .00611 .00611 .00611       0       0       0
AlM      .5     .5     .5  .96 .00510 .00510 .00510 .00510 -.00033 -.00033 -.00033
Fe3+M    .5     .5     .5 .005 .00510 .00510 .00510 .00510 -.00033 -.00033 -.00033
MgM      .5     .5     .5 .015 .00510 .00510 .00510 .00510 -.00033 -.00033 -.00033
Fe2+M    .5     .5     .5  .02 .00510 .00510 .00510 .00510 -.00033 -.00033 -.00033
O    .26440 .26440 .26440      .00510 .00510 .00510 .00510 -.00025 -.00025 -.00025
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View JMOL 3-D Structure (permalink)
 
Gahnite
Download hom/gahnite.pdf
D'Ippolito V, Andreozzi G B, Bosi F, Halenius U, Mantovani L, Bersani D, Fregola R A
 
Mineralogical Magazine 77 (2013) 2941-2953
Crystallographic and spectroscopic characterization of a natural Zn-rich spinel
approaching the endmember gahnite (ZnAl2O4) composition
Locality: Jemaa, Kaduna State, Nigeria
_database_code_amcsd 0019968
8.0850 8.0850 8.0850 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)
AlM       .5     .5     .5 .980 .00415 .00415 .00415 -.00035 -.00035 -.00035
Fe2+M     .5     .5     .5 .015 .00415 .00415 .00415 -.00035 -.00035 -.00035
Fe3+M     .5     .5     .5 .005 .00415 .00415 .00415 -.00035 -.00035 -.00035
ZnT     .125   .125   .125  .94 .00487 .00487 .00487       0       0       0
Fe2+T   .125   .125   .125  .03 .00487 .00487 .00487       0       0       0
AlT     .125   .125   .125  .03 .00487 .00487 .00487       0       0       0
O     .26414 .26414 .26414      .00452 .00452 .00452 -.00026 -.00026 -.00026
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 15
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