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Ba Er2 Ni O5 |
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Alonso J, Amador J, Rasines I, Soubeyroux J |
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Acta Crystallographica C47 (1991) 249-251 |
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Er2BaNiO5: Structure refinement using neutron powder diffraction data |
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_cod_database_code 1008460 |
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_database_code_amcsd 0016364 |
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3.7541 5.7442 11.3019 90 90 90 Immm |
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atom x y z occ |
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Ba1 0 .5 0 |
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Er1 0 0 .2028 |
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Ni1 .5 0 0 |
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O1 .5 .2418 .1487 |
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O2 0 0 0 .99 |
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| Download AMC data (View Text File)
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Al6 O18 Sr9 |
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Alonso J, Rasines I, Soubeyroux J |
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Inorganic Chemistry 29 (1990) 4768-4771 |
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Tristrontium dialuminium hexaoxide: An intricate superstructure of perovskite |
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_cod_database_code 1008450 |
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_database_code_amcsd 0016355 |
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15.8476 15.8476 15.8476 90 90 90 Pa3 |
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atom x y z |
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Sr1 0 0 0 |
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Sr2 .5 0 0 |
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Sr3 .2521 .2521 .2521 |
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Sr4 .3765 .3765 .3764 |
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Sr5 .1345 .3745 .1332 |
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Sr6 .3793 .3852 .1242 |
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Al1 .2520 .0164 .0184 |
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Al2 .2392 .2345 .0041 |
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O1 .2631 .1257 .0032 |
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O2 .4930 .1275 .2448 |
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O3 .2697 .2762 .1001 |
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O4 .2352 .4065 .2804 |
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O5 .3458 -.0261 -.0188 |
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O6 .1544 -.0175 -.0177 |
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| Download AMC data (View Text File)
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|
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Ba Ca0.22 Er1.78 Ni O5 |
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Alonso J, Rasines I, Rodriguez-Carvajal J, Torrance J |
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Journal of Solid State Chemistry 109 (1994) 231-240 |
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Hole and electron doping of R2BaNiO5 (R=rare earths) |
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_cod_database_code 1006068 |
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_database_code_amcsd 0013803 |
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3.7423 5.7416 11.2729 90 90 90 Immm |
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atom x y z occ |
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Ca1 .5 0 .2038 .112 |
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Er1 .5 0 .2038 .888 |
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Ba1 .5 .5 0 |
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Ni1 0 0 0 |
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O1 0 .2397 .1481 |
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O2 .5 0 0 |
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| Download AMC data (View Text File)
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|
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Ba Ca0.36 Er1.64 Ni O5 |
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Alonso J, Rasines I, Rodriguez-Carvajal J, Torrance J |
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Journal of Solid State Chemistry 109 (1994) 231-240 |
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Hole and electron doping of R2BaNiO5 (R=rare earths) |
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_cod_database_code 1006069 |
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_database_code_amcsd 0013804 |
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3.7342 5.7486 11.2625 90 90 90 Immm |
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atom x y z occ |
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Ca1 .5 0 .2041 .180 |
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Er1 .5 0 .2041 .82 |
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Ba1 .5 .5 0 |
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Ni1 0 0 0 |
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O1 0 .2394 .1472 |
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O2 .5 0 0 |
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| Download AMC data (View Text File)
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|
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Ba Ca0.19 Er1.81 Ni O4.76 |
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Alonso J, Rasines I, Rodriguez-Carvajal J, Torrance J |
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Journal of Solid State Chemistry 109 (1994) 231-240 |
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Hole and electron doping of R2BaNiO5 (R=rare earths) |
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_cod_database_code 1006070 |
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_database_code_amcsd 0013805 |
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3.7106 5.7461 11.3007 90 90 90 Immm |
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atom x y z occ |
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Ca1 .5 0 .2047 .095 |
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Er1 .5 0 .2047 .905 |
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Ba1 .5 .5 0 |
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Ni1 0 0 0 |
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O1 0 .2408 .1487 |
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O2 .5 0 0 .76 |
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| Download AMC data (View Text File)
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|
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Ba Ca0.34 Er1.66 Ni O4.58 |
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Alonso J, Rasines I, Rodriguez-Carvajal J, Torrance J |
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Journal of Solid State Chemistry 109 (1994) 231-240 |
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Hole and electron doping of R2BaNiO5 (R=rare earths) |
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_cod_database_code 1006071 |
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_database_code_amcsd 0013806 |
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3.6876 5.7467 11.3012 90 90 90 Immm |
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atom x y z occ |
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Ca1 .5 0 .2049 .17 |
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Er1 .5 0 .2049 .83 |
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Ba1 .5 .5 0 |
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Ni1 0 0 0 |
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O1 0 .2405 .1476 .99 |
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O2 .5 0 0 .62 |
|
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| Download AMC data (View Text File)
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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)
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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 |
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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 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)
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|
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Nd1.8 Ni O3.7 Sr0.2 |
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Medarde M, Rodriguez-Carvajal J, Vallet-Regi M, Gonzalez-Calbet J, Alonso J |
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Physical Review, Serie 3. B - Condensed Matter 49 (1994) 8591-8599 |
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Crystal structure and microstructure of Nd1.8 Sr0.2 NiO3.72: a K2 Ni F4- |
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type nickelate with monoclinic symmetry and ordered oxygen vacancies |
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_cod_database_code 1006139 |
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_database_code_amcsd 0015287 |
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5.3473 5.4554 12.275 90 90 90.782 B2/n |
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atom x y z occ |
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Nd1 0 -.009 .3625 .9 |
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Sr1 0 -.009 .3625 .1 |
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Ni1 0 0 0 |
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O1 .25 .25 -.011 .76 |
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O2 .25 .25 .489 .94 |
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O3 0 .054 .1773 |
|
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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Nd1.8 Ni O3.72 Sr0.2 |
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Medarde M, Rodriguez-Carvajal J, Vallet-Regi M, Gonzalez-Calbet J, Alonso J |
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Physical Review, Serie 3. B - Condensed Matter 49 (1994) 8591-8599 |
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Crystal structure and microstructure of Nd1.8 Sr0.2 NiO3.72: a K2 Ni F4- |
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type nickelate with monoclinic symmetry and ordered oxygen vacancies |
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_cod_database_code 1006140 |
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_database_code_amcsd 0015288 |
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5.3578 5.4394 12.250 90 90 90.788 B2/n |
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atom x y z occ |
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Nd1 0 -.008 .3626 .9 |
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Sr1 0 -.008 .3626 .1 |
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Ni1 0 0 0 |
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O1 .25 .25 -.011 .76 |
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O2 .25 .25 .489 .94 |
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O3 0 .053 .1781 |
|
|
| Download AMC data (View Text File)
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|
| |
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Ba Er2 Ni O5 |
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Alonso J, Amador J, Martinez J, Rasines I, Rodriguez-Carvajal J, Saez-Puche R |
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Solid State Communications 76 (1990) 467-474 |
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Neutron diffraction study of the magnetic structure of Er2BaNiO5 |
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_cod_database_code 1006034 |
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_database_code_amcsd 0015481 |
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3.7472 5.7293 11.2755 90 90 90 Immm |
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atom x y z |
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Er1 0 0 .2027 |
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Ba1 0 .5 0 |
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Ni1 .5 0 0 |
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O1 .5 .2409 .1483 |
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O2 0 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba Er2 Ni O5 |
| |
Alonso J, Amador J, Martinez J, Rasines I, Rodriguez-Carvajal J, Saez-Puche R |
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Solid State Communications 76 (1990) 467-474 |
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Neutron diffraction study of the magnetic structure of Er2BaNiO5 |
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_cod_database_code 1006035 |
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_database_code_amcsd 0015482 |
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3.7464 5.7289 11.2741 90 90 90 Immm |
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atom x y z |
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Er1 0 0 .2027 |
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Ba1 0 .5 0 |
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Ni1 .5 0 0 |
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O1 .5 .2397 .1486 |
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O2 0 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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Ba Ni O5 Tm2 |
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Garcia-Matres E, Rodriguez-Carvajal J, Martinez J, Alonso J, Salinas-Sanchez A, Saez-Puche R |
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Solid State Ionics 63 (1993) 915-921 |
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Polymorphism in the oxides R2NaNiO5 (R= Tm, Yb, Lu) |
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_cod_database_code 1006059 |
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_database_code_amcsd 0015513 |
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3.75124 5.72140 11.2456 90 90 90 Immm |
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atom x y z |
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Ba1 .5 .5 0 |
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Tm1 .5 0 .2033 |
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Ni1 0 0 0 |
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O1 0 .2399 .1499 |
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O2 .5 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba Ni O5 Yb2 |
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Garcia-Matres E, Rodriguez-Carvajal J, Martinez J, Alonso J, Salinas-Sanchez A, Saez-Puche R |
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Solid State Ionics 63 (1993) 915-921 |
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Polymorphism in the oxides R2NaNiO5 (R= Tm, Yb, Lu) |
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_cod_database_code 1006060 |
|
_database_code_amcsd 0015514 |
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3.74482 5.70668 11.040 90 90 90 Immm |
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atom x y z |
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Ba1 .5 .5 0 |
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Yb1 .5 0 .20323 |
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Ni1 0 0 0 |
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O1 0 .2393 .1504 |
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O2 .5 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba Ni O5 Tm2 |
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Garcia-Matres E, Rodriguez-Carvajal J, Martinez J, Alonso J, Salinas-Sanchez A, Saez-Puche R |
| |
Solid State Ionics 63 (1993) 915-921 |
|
Polymorphism in the oxides R2NaNiO5 (R= Tm, Yb, Lu) |
|
_cod_database_code 1006061 |
|
_database_code_amcsd 0015515 |
|
12.2003 5.6585 6.9744 90 90 90 Pnma |
|
atom x y z |
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Ba1 .9035 .25 .9243 |
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Tm1 .2918 .25 .1244 |
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Tm2 .0755 .25 .3997 |
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Ni1 .6561 .25 .6953 |
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O1 .4356 -.0042 .1703 |
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O2 .22539 .4989 .3641 |
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O3 .1033 .25 .0765 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba Ni O5 Yb2 |
| |
Garcia-Matres E, Rodriguez-Carvajal J, Martinez J, Alonso J, Salinas-Sanchez A, Saez-Puche R |
| |
Solid State Ionics 63 (1993) 915-921 |
|
Polymorphism in the oxides R2NaNiO5 (R= Tm, Yb, Lu) |
|
_cod_database_code 1006062 |
|
_database_code_amcsd 0015516 |
|
12.1581 5.6423 6.9545 90 90 90 Pnma |
|
atom x y z |
|
Ba1 .9036 .25 .9244 |
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Yb1 .2916 .25 .1241 |
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Yb2 .0743 .25 .3998 |
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Ni1 .6558 .25 .6952 |
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O1 .4358 -.0040 .1701 |
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O2 .2250 .4995 .3645 |
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O3 .1035 .25 .0766 |
|
|
| Download AMC data (View Text File)
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|
| |
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