American Mineralogist Crystal Structure Database

13 matching records for this search.

Aragonite
Download hom/aragonite.pdf
Ye Y, Smyth J R, Boni P
 
American Mineralogist 97 (2012) 707-712
Crystal structure and thermal expansion of aragonite-group carbonates
by single-crystal X-ray diffraction
Note: T = 184 K
Locality: natural, unknown locality
_database_code_amcsd 0018848
4.9541 7.9494 5.7186 90 90 90 Pmcn
atom     x     y      z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca     .25 .4151  .7599 .997 .013   .019   .014   .007      0      0 -.0003
Sr     .25 .4151  .7599 .003 .013   .019   .014   .007      0      0 -.0003
C      .25  .763  -.089      .015   .020   .025   .000      0      0  -.001
O1     .25 .9244 -.0961      .015   .027   .007   .011      0      0  -.001
O2   .4752 .6804 -.0875      .014   .018   .013   .010   .005   .002   .000
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Aragonite
Download hom/aragonite.pdf
Ye Y, Smyth J R, Boni P
 
American Mineralogist 97 (2012) 707-712
Crystal structure and thermal expansion of aragonite-group carbonates
by single-crystal X-ray diffraction
Note: T = 224 K
Locality: natural, unknown locality
_database_code_amcsd 0018849
4.9564 7.9536 5.7253 90 90 90 Pmcn
atom     x     y      z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca     .25 .4151  .7600 .997 .014   .018   .016   .009      0      0  .0004
Sr     .25 .4151  .7600 .003 .014   .018   .016   .009      0      0  .0004
C      .25 .7636  -.087      .016   .024   .024   .000      0      0  -.005
O1     .25 .9244 -.0953      .015   .025   .008   .010      0      0  -.004
O2   .4748 .6802 -.0870      .015   .019   .014   .013   .007   .001   .001
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Aragonite
Download hom/aragonite.pdf
Ye Y, Smyth J R, Boni P
 
American Mineralogist 97 (2012) 707-712
Crystal structure and thermal expansion of aragonite-group carbonates
by single-crystal X-ray diffraction
Note: T = 265 K
Locality: natural, unknown locality
_database_code_amcsd 0018850
4.9579 7.9595 5.7328 90 90 90 Pmcn
atom     x     y      z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca     .25 .4148  .7596 .997 .010   .017   .005   .008      0      0 -.0010
Sr     .25 .4148  .7596 .003 .010   .017   .005   .008      0      0 -.0010
C      .25  .762  -.086      .010   .000   .031   .000      0      0   .003
O1     .25 .9241 -.0957      .014   .032   .000   .011      0      0   .005
O2   .4744 .6807 -.0872      .008   .007   .006   .012  -.001  -.001  -.002
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Aragonite
Download hom/aragonite.pdf
Ye Y, Smyth J R, Boni P
 
American Mineralogist 97 (2012) 707-712
Crystal structure and thermal expansion of aragonite-group carbonates
by single-crystal X-ray diffraction
Note: T = 300 K, low-temperature experiment
Locality: natural, unknown locality
_database_code_amcsd 0018851
4.9596 7.9644 5.7416 90 90 90 Pmcn
atom     x     y      z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca     .25 .4150  .7596 .997 .015   .022   .016   .009      0      0 -.0004
Sr     .25 .4150  .7596 .003 .015   .022   .016   .009      0      0 -.0004
C      .25  .762  -.088      .017   .017   .033   .000      0      0  -.004
O1     .25 .9235 -.0951      .018   .032   .008   .015      0      0   .001
O2   .4750 .6804 -.0870      .016   .014   .019   .014   .004   .002  -.001
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Aragonite
Download hom/aragonite.pdf
Ye Y, Smyth J R, Boni P
 
American Mineralogist 97 (2012) 707-712
Crystal structure and thermal expansion of aragonite-group carbonates
by single-crystal X-ray diffraction
Note: T = 300 K, high-temperature experiment
Locality: natural, unknown locality
_database_code_amcsd 0018852
4.9615 7.9629 5.7428 90 90 90 Pmcn
atom     x     y      z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca     .25 .4151  .7600 .997 .017   .018   .016   .017      0      0 -.0016
Sr     .25 .4151  .7600 .003 .017   .018   .016   .017      0      0 -.0016
C      .25  .764  -.085      .017   .017   .034   .000      0      0   .004
O1     .25 .9246  -.096      .019   .029   .005   .024      0      0   .000
O2   .4753 .6807 -.0861      .017   .008   .017   .026   .006   .002   .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)
 
Aragonite
Download hom/aragonite.pdf
Ye Y, Smyth J R, Boni P
 
American Mineralogist 97 (2012) 707-712
Crystal structure and thermal expansion of aragonite-group carbonates
by single-crystal X-ray diffraction
Note: T = 359 K
Locality: natural, unknown locality
_database_code_amcsd 0018853
4.9638 7.9698 5.7545 90 90 90 Pmcn
atom     x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca     .25 .41493  .7600 .997 .0188   .020   .013   .024      0      0  .0002
Sr     .25 .41493  .7600 .003 .0188   .020   .013   .024      0      0  .0002
C      .25  .7613 -.0842       .016   .030   .017   .000      0      0   .001
O1     .25  .9226 -.0948       .021   .029   .004   .029      0      0  -.001
O2   .4747  .6801 -.0857       .021   .013   .016   .033   .008   .001  .0031
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Aragonite
Download hom/aragonite.pdf
Ye Y, Smyth J R, Boni P
 
American Mineralogist 97 (2012) 707-712
Crystal structure and thermal expansion of aragonite-group carbonates
by single-crystal X-ray diffraction
Note: T = 415 K
Locality: natural, unknown locality
_database_code_amcsd 0018854
4.9667 7.9775 5.7680 90 90 90 Pmcn
atom     x      y      z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca     .25 .41483  .7599 .997 .024   .026   .017   .030      0      0  .0007
Sr     .25 .41483  .7599 .003 .024   .026   .017   .030      0      0  .0007
C      .25  .7632  -.081      .019   .042   .013   .000      0      0  -.004
O1     .25  .9220 -.0948      .029   .031   .009   .046      0      0  -.002
O2   .4739  .6800 -.0852      .026   .025   .017   .035   .010   .001   .004
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Aragonite
Download hom/aragonite.pdf
Ye Y, Smyth J R, Boni P
 
American Mineralogist 97 (2012) 707-712
Crystal structure and thermal expansion of aragonite-group carbonates
by single-crystal X-ray diffraction
Note: T = 471 K
Locality: natural, unknown locality
_database_code_amcsd 0018855
4.9692 7.9873 5.7796 90 90 90 Pmcn
atom     x      y      z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca     .25 .41496  .7597 .997 .025   .026   .020   .028      0      0 -.0004
Sr     .25 .41496  .7597 .003 .025   .026   .020   .028      0      0 -.0004
C      .25  .7611 -.0821      .020   .044   .016   .001      0      0  -.001
O1     .25  .9217 -.0937      .029   .038   .010   .040      0      0   .000
O2   .4737  .6800 -.0847      .028   .026   .024   .035   .013   .002  .0025
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Aragonite
Download hom/aragonite.pdf
Ye Y, Smyth J R, Boni P
 
American Mineralogist 97 (2012) 707-712
Crystal structure and thermal expansion of aragonite-group carbonates
by single-crystal X-ray diffraction
Note: T = 527 K
Locality: natural, unknown locality
_database_code_amcsd 0018856
4.9723 7.9983 5.7931 90 90 90 Pmcn
atom     x      y      z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca     .25 .41482  .7594 .997 .029   .029   .023   .036      0      0 -.0004
Sr     .25 .41482  .7594 .003 .029   .029   .023   .036      0      0 -.0004
C      .25  .7588 -.0819      .023   .026   .031   .013      0      0  -.007
O1     .25  .9207 -.0921      .035   .042   .019   .044      0      0  -.001
O2   .4738  .6809 -.0838      .034   .018   .037   .048   .009   .001   .002
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Witherite
Download hom/witherite.pdf
Ye Y, Smyth J R, Boni P
 
American Mineralogist 97 (2012) 707-712
Crystal structure and thermal expansion of aragonite-group carbonates
by single-crystal X-ray diffraction
Note: T = 300 K
Locality: Hexham, Northumberland, England
_database_code_amcsd 0018857
5.3193 8.9056 6.4353 90 90 90 Pmcn
atom     x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba     .25 .41631 .75452 .981 .0145  .0158  .0127  .0150      0      0  .0004
Sr     .25 .41631 .75452 .019 .0145  .0158  .0127  .0150      0      0  .0004
C      .25  .7570 -.0792       .019   .028   .014   .013      0      0  -.002
O1     .25  .9011 -.0886      .0212   .025   .015   .023      0      0   .001
O2   .4611  .6840 -.0827      .0194   .015   .019   .024   .001   .000   .000
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Strontianite
Download hom/strontianite.pdf
Ye Y, Smyth J R, Boni P
 
American Mineralogist 97 (2012) 707-712
Crystal structure and thermal expansion of aragonite-group carbonates
by single-crystal X-ray diffraction
Note: T = 300 K
Locality: Dreisteinfurt, Westphalia, Germany
_database_code_amcsd 0018858
5.0914 8.3519 5.9901 90 90 90 Pmcn
atom     x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sr     .25 .41598  .7573 .853 .0163  .0175  .0176  .0140      0      0  .0001
Ca     .25 .41598  .7573 .147 .0163  .0175  .0176  .0140      0      0  .0001
C      .25  .7574  -.086       .015   .026   .020   .000      0      0  -.003
O1     .25  .9124 -.0920       .014   .011   .016   .014      0      0  -.007
O2   .4686  .6804 -.0854      .0131   .012   .015   .012   .000  -.002  -.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)
 
Cerussite
Download hom/cerussite.pdf
Ye Y, Smyth J R, Boni P
 
American Mineralogist 97 (2012) 707-712
Crystal structure and thermal expansion of aragonite-group carbonates
by single-crystal X-ray diffraction
Note: T = 300 K
Locality: Tsumeb, Namibia
_database_code_amcsd 0018859
5.1820 8.4953 6.1436 90 90 90 Pmcn
atom     x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb     .25 .41706 .75405 .999 .0133  .0133  .0146  .0121      0      0 .00010
Ca     .25 .41706 .75405 .001 .0133  .0133  .0146  .0121      0      0 .00010
C      .25  .7648 -.0896       .015   .009   .033   .002      0      0   .000
O1     .25  .9125 -.0945       .022   .027   .014   .026      0      0  -.007
O2   .4633  .6864 -.0869      .0198   .022   .021   .016   .003   .001   .001
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Aragonite
Download hom/aragonite.pdf
Ye Y, Smyth J R, Boni P
 
American Mineralogist 97 (2012) 707-712
Crystal structure and thermal expansion of aragonite-group carbonates
by single-crystal X-ray diffraction
Note: T = 300 K
Locality: natural, unknown locality
_database_code_amcsd 0018860
4.9596 7.9644 5.7416 90 90 90 Pmcn
atom     x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca     .25 .41498 .75936 .997 .0121  .0131  .0110  .0122      0      0 .00020
Sr     .25 .41498 .75936 .003 .0121  .0131  .0110  .0122      0      0 .00020
C      .25  .7622 -.0851      .0121  .0152  .0154  .0058      0      0  .0007
O1     .25 .92200 -.0956      .0170  .0211  .0128  .0172      0      0 -.0005
O2   .4737 .68067 -.0872      .0159  .0135  .0179  .0162  .0026  .0003  .0013
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 13
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