American Mineralogist Crystal Structure Database

3 matching records for this search.

Sanjuanite
Download hom/sanjuanite.pdf
Colombo F, Rius J, Pannunzio-Miner E V, Pedregosa J C, Cami G E, Carbonio R E
 
The Canadian Mineralogist 49 (2011) 835-847
Sanjuanite: Ab Initio crystal-structure solution from laboratory
powder-diffraction data, complemented by FTIR spectroscopy and DT-TG analyses
Locality: Pensylvanian slates belonging to Los Jejenes Formation at the
Pocito Department, San Juan Province, Argentina
_database_code_amcsd 0018459
13.9163 17.2422 6.1125 90 98.255 90 P2_1/n
atom        x      y     z Biso
Al1    -.1099  .1155 .5944  4.1
Al2     .1809  .0688 .2090  4.1
P       .1212  .0463 .6855  4.1
S       .1264  .3459 .4154  4.1
O1      .0730  .3868 .5733  4.1
O2      .1157  .3795 .1902  4.1
O3      .2312  .3494 .5123  4.1
O4      .0968  .2635 .3956  4.1
O5      .1090 -.0425 .6397  4.1
O6      .1781  .0826 .5138  4.1
O7      .0276  .1010 .6646  4.1
O8      .1748  .0547 .9249  4.1
OH9    -.1507  .0399 .7903  4.1
Wat10  -.0790  .1981 .4080  4.1
Wat11  -.2432  .1385 .4860  4.1
Wat12  -.1104  .1930 .8185  4.1
Wat13   .3208  .0524 .2296  4.1
Wat14   .0469  .0993 .1403  4.1
Wat15   .2149  .1798 .1860  4.1
Wat16  -.0173  .3300 .8685  8.5
Wat17  -.1028  .4512 .2361  8.5
Wat18   .3053  .1940 .8001  8.5
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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)
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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: 3
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