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Sanjuanite |
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Colombo F, Rius J, Pannunzio-Miner E V, Pedregosa J C, Cami G E, Carbonio R E |
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The Canadian Mineralogist 49 (2011) 835-847 |
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Sanjuanite: Ab Initio crystal-structure solution from laboratory |
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powder-diffraction data, complemented by FTIR spectroscopy and DT-TG analyses |
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Locality: Pensylvanian slates belonging to Los Jejenes Formation at the |
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Pocito Department, San Juan Province, Argentina |
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_database_code_amcsd 0018459 |
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13.9163 17.2422 6.1125 90 98.255 90 P2_1/n |
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atom x y z Biso |
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Al1 -.1099 .1155 .5944 4.1 |
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Al2 .1809 .0688 .2090 4.1 |
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P .1212 .0463 .6855 4.1 |
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S .1264 .3459 .4154 4.1 |
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O1 .0730 .3868 .5733 4.1 |
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O2 .1157 .3795 .1902 4.1 |
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O3 .2312 .3494 .5123 4.1 |
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O4 .0968 .2635 .3956 4.1 |
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O5 .1090 -.0425 .6397 4.1 |
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O6 .1781 .0826 .5138 4.1 |
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O7 .0276 .1010 .6646 4.1 |
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O8 .1748 .0547 .9249 4.1 |
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OH9 -.1507 .0399 .7903 4.1 |
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Wat10 -.0790 .1981 .4080 4.1 |
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Wat11 -.2432 .1385 .4860 4.1 |
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Wat12 -.1104 .1930 .8185 4.1 |
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Wat13 .3208 .0524 .2296 4.1 |
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Wat14 .0469 .0993 .1403 4.1 |
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Wat15 .2149 .1798 .1860 4.1 |
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Wat16 -.0173 .3300 .8685 8.5 |
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Wat17 -.1028 .4512 .2361 8.5 |
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Wat18 .3053 .1940 .8001 8.5 |
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Magnocolumbite |
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Pagola S, Carbonio R E, Alonso J A, Fernandez-Diaz M T |
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Journal of Solid State Chemistry 134 (1997) 76-84 |
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Crystal structure refinement of Mg Nb2 O6 columbite from neutron powder |
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diffraction data and study of the ternary system MgO-Nb2O5-NbO, with evidence |
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of formation of new reduced pseudobrookite Mg5-xNb4+xO15-d (1.14 |
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Locality: synthetic |
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Note: reported and calculated Biso(O2)'s do not match |
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_database_code_amcsd 0013944 |
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14.1875 5.7001 5.0331 90 90 90 Pbcn |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mg 0 .1688 .25 .40 .00038 .0049 .0033 0 -.0001 0 |
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Nb .15993 .3181 .7538 .24 .00028 .0014 .0028 .0001 .0005 .0011 |
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O1 .0955 .3944 .4321 .37 .00067 .0025 .0033 -.0001 -.0004 .0011 |
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O2 .0796 .1163 .9077 .25 .00048 .0063 .0032 -.0006 .0001 .0001 |
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O3 .2560 .1222 .5833 .33 .00051 .0013 .0029 .0006 .0006 -.0002 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Columbite-(Mg) |
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Pagola S, Carbonio R E, Alonso J A, Fernandez-Diaz M T |
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Journal of Solid State Chemistry 134 (1997) 76-84 |
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Crystal structure refinement of Mg Nb2 O6 columbite from neutron powder |
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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 |
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Locality: synthetic |
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Note: reported and calculated Biso(O2)'s do not match |
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_database_code_amcsd 0013945 |
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14.1875 5.7001 5.0331 90 90 90 Pbcn |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mg 0 .1688 .25 .40 .00038 .0049 .0033 0 -.0001 0 |
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Nb .15993 .3181 .7538 .24 .00028 .0014 .0028 .0001 .0005 .0011 |
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O1 .0955 .3944 .4321 .37 .00067 .0025 .0033 -.0001 -.0004 .0011 |
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O2 .0796 .1163 .9077 .25 .00048 .0063 .0032 -.0006 .0001 .0001 |
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O3 .2560 .1222 .5833 .33 .00051 .0013 .0029 .0006 .0006 -.0002 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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