American Mineralogist Crystal Structure Database

5 matching records for this search.

Chondrodite
Download hom/chondrodite.pdf
Kunz M, Lager G A, Burgi H B, Fernandez-Diaz M T
 
Physics and Chemistry of Minerals 33 (2006) 17-27
High-temperature single-crystal neutron diffraction
study of natural chondrodite
Locality: Tilly Foster Mine, Brewster, New York
Sample: T = 500 K
_database_code_amcsd 0009017
4.7375 10.2920 7.8897 109.071 90 90 P2_1/b
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1      .5      0     .5 .88  .0081  .0064  .0086  .0078  .0010  .0013  .0006
Fe1      .5      0     .5 .12  .0081  .0064  .0086  .0078  .0010  .0013  .0006
Mg2   .0104 .17338 .30720     .00747  .0074  .0069  .0085  .0003 -.0001  .0031
Mg3   .4917 .88608 .07902     .00810  .0083  .0085  .0078 -.0001 -.0007  .0031
Si    .0764 .14428 .70407      .0053  .0037  .0062  .0060 -.0001 -.0001  .0019
O1    .7794 .00060 .29406     .00778  .0074  .0064  .0101  .0002  .0003  .0035
O2    .7267 .24097 .12552     .00803  .0072  .0075  .0075 -.0002  .0006 -.0002
O3    .2235 .16901 .52906     .00783  .0070  .0103  .0072 -.0003  .0001  .0043
O4   .26390 .85468 .29459     .00763  .0043  .0094  .0091 -.0001  .0001  .0028
Oh5    .247  .0532  .0922 .43  .0100  .0097  .0094  .0104  .0005  .0017  .0027
H     .0899  .0139  .0197 .43  .0272   .018   .030   .028 -.0038 -.0057  .0025
F     .2686  .0592  .1038 .57  .0100  .0097  .0094  .0104  .0005  .0017  .0027
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View JMOL 3-D Structure (permalink)
 
Chondrodite
Download hom/chondrodite.pdf
Kunz M, Lager G A, Burgi H B, Fernandez-Diaz M T
 
Physics and Chemistry of Minerals 33 (2006) 17-27
High-temperature single-crystal neutron diffraction
study of natural chondrodite
Locality: Tilly Foster Mine, Brewster, New York
Sample: T = 700 K
_database_code_amcsd 0009018
4.7426 10.3082 7.9010 109.072 90 90 P2_1/b
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1      .5      0     .5 .88  .0112  .0089  .0122  .0105  .0017  .0019  .0010
Fe1      .5      0     .5 .12  .0112  .0089  .0122  .0105  .0017  .0019  .0010
Mg2   .0106 .17317 .30750     .01029  .0101  .0096  .0117  .0005 -.0002  .0043
Mg3   .4913 .88585 .07874     .01097  .0111  .0114  .0107 -.0001 -.0012  .0040
Si    .0764 .14429 .70404     .00703  .0047  .0082  .0079 -.0002 -.0000  .0022
O1   .77955 .00036 .29422     .01037  .0097  .0085  .0137  .0002  .0004  .0047
O2   .72627 .24116 .12571     .01072  .0094  .0102  .0100 -.0003  .0008 -.0001
O3   .22333 .16910 .52937     .01046  .0089  .0142  .0097 -.0003  .0003  .0058
O4   .26330 .85451 .29455     .01019  .0054  .0128  .0122 -.0001  .0002  .0039
Oh5    .247  .0531  .0923 .43  .0135  .0129  .0130  .0144  .0010  .0026  .0041
H     .0907  .0141  .0201 .43  .0344   .023   .039   .035 -.0055 -.0075   .004
F     .2685  .0589  .1038 .57  .0135  .0129  .0130  .0144  .0010  .0026  .0041
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Chondrodite
Download hom/chondrodite.pdf
Kunz M, Lager G A, Burgi H B, Fernandez-Diaz M T
 
Physics and Chemistry of Minerals 33 (2006) 17-27
High-temperature single-crystal neutron diffraction
study of natural chondrodite
Locality: Tilly Foster Mine, Brewster, New York
Sample: T = 900 K
_database_code_amcsd 0009019
4.7501 10.3297 7.91912 109.048 90 90 P2_1/b
atom     x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1     .5      0     .5 .88 .0144  .0105  .0161  .0141  .0020  .0023  .0016
Fe1     .5      0     .5 .12 .0144  .0105  .0161  .0141  .0020  .0023  .0016
Mg2  .0106 .17278  .3077     .0128  .0122  .0127  .0144  .0007 -.0004  .0055
Mg3  .4910 .88556  .0785     .0137  .0130  .0151  .0134 -.0003 -.0015  .0052
Si   .0766 .14445  .7039     .0087  .0050  .0104  .0105 -.0002 -.0002  .0031
O1   .7800 .00004 .29439     .0128  .0115  .0109  .0169  .0006  .0007  .0057
O2   .7259 .24156 .12591     .0135  .0111  .0133  .0127 -.0004  .0010 -.0006
O3   .2233 .16916 .52968     .0130  .0106  .0183  .0118 -.0005  .0005  .0074
O4   .2626 .85449 .29471     .0128  .0059  .0170  .0154 -.0001  .0004  .0050
Oh5   .247  .0529  .0921 .43 .0172  .0155  .0172  .0188  .0010  .0031  .0056
H    .0924  .0146  .0215 .43 .0410   .029   .044   .042  -.006  -.007   .004
F    .2693  .0589  .1043 .57 .0172  .0155  .0172  .0188  .0010  .0031  .0056
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View JMOL 3-D Structure (permalink)
 
Magnocolumbite
Download hom/magnocolumbite.pdf
Pagola S, Carbonio R E, Alonso J A, Fernandez-Diaz M T
 
Journal of Solid State Chemistry 134 (1997) 76-84
Crystal structure refinement of Mg Nb2 O6 columbite from neutron powder
diffraction data and study of the ternary system MgO-Nb2O5-NbO, with evidence
of formation of new reduced pseudobrookite Mg5-xNb4+xO15-d (1.14
Locality: synthetic
Note: reported and calculated Biso(O2)'s do not match
_database_code_amcsd 0013944
14.1875 5.7001 5.0331 90 90 90 Pbcn
atom      x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg        0 .1688   .25  .40 .00038  .0049  .0033      0 -.0001      0
Nb   .15993 .3181 .7538  .24 .00028  .0014  .0028  .0001  .0005  .0011
O1    .0955 .3944 .4321  .37 .00067  .0025  .0033 -.0001 -.0004  .0011
O2    .0796 .1163 .9077  .25 .00048  .0063  .0032 -.0006  .0001  .0001
O3    .2560 .1222 .5833  .33 .00051  .0013  .0029  .0006  .0006 -.0002
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Columbite-(Mg)
Download hom/columbitemg.pdf
Pagola S, Carbonio R E, Alonso J A, Fernandez-Diaz M T
 
Journal of Solid State Chemistry 134 (1997) 76-84
Crystal structure refinement of Mg Nb2 O6 columbite from neutron powder
diffraction data and study of the ternary system MgO-Nb2O5-NbO, with evidence
of formation of new reduced pseudobrookite Mg5-xNb4+xO15-d (1.14
Locality: synthetic
Note: reported and calculated Biso(O2)'s do not match
_database_code_amcsd 0013945
14.1875 5.7001 5.0331 90 90 90 Pbcn
atom      x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg        0 .1688   .25  .40 .00038  .0049  .0033      0 -.0001      0
Nb   .15993 .3181 .7538  .24 .00028  .0014  .0028  .0001  .0005  .0011
O1    .0955 .3944 .4321  .37 .00067  .0025  .0033 -.0001 -.0004  .0011
O2    .0796 .1163 .9077  .25 .00048  .0063  .0032 -.0006  .0001  .0001
O3    .2560 .1222 .5833  .33 .00051  .0013  .0029  .0006  .0006 -.0002
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: 5
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