American Mineralogist Crystal Structure Database

16 matching records for this search.

Ba Er2 Ni O5
 
Alonso J, Amador J, Rasines I, Soubeyroux J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=47&spage=249
Acta Crystallographica C47 (1991) 249-251
Er2BaNiO5: Structure refinement using neutron powder diffraction data
_cod_database_code 1008460
_database_code_amcsd 0016364
3.7541 5.7442 11.3019 90 90 90 Immm
atom  x     y     z occ
Ba1   0    .5     0
Er1   0     0 .2028
Ni1  .5     0     0
O1   .5 .2418 .1487
O2    0     0     0 .99
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Al6 O18 Sr9
 
Alonso J, Rasines I, Soubeyroux J
 
Inorganic Chemistry 29 (1990) 4768-4771
Tristrontium dialuminium hexaoxide: An intricate superstructure of perovskite
_cod_database_code 1008450
_database_code_amcsd 0016355
15.8476 15.8476 15.8476 90 90 90 Pa3
atom     x      y      z
Sr1      0      0      0
Sr2     .5      0      0
Sr3  .2521  .2521  .2521
Sr4  .3765  .3765  .3764
Sr5  .1345  .3745  .1332
Sr6  .3793  .3852  .1242
Al1  .2520  .0164  .0184
Al2  .2392  .2345  .0041
O1   .2631  .1257  .0032
O2   .4930  .1275  .2448
O3   .2697  .2762  .1001
O4   .2352  .4065  .2804
O5   .3458 -.0261 -.0188
O6   .1544 -.0175 -.0177
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Ba Ca0.22 Er1.78 Ni O5
 
Alonso J, Rasines I, Rodriguez-Carvajal J, Torrance J
 
Journal of Solid State Chemistry 109 (1994) 231-240
Hole and electron doping of R2BaNiO5 (R=rare earths)
_cod_database_code 1006068
_database_code_amcsd 0013803
3.7423 5.7416 11.2729 90 90 90 Immm
atom  x     y     z  occ
Ca1  .5     0 .2038 .112
Er1  .5     0 .2038 .888
Ba1  .5    .5     0
Ni1   0     0     0
O1    0 .2397 .1481
O2   .5     0     0
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Ba Ca0.36 Er1.64 Ni O5
 
Alonso J, Rasines I, Rodriguez-Carvajal J, Torrance J
 
Journal of Solid State Chemistry 109 (1994) 231-240
Hole and electron doping of R2BaNiO5 (R=rare earths)
_cod_database_code 1006069
_database_code_amcsd 0013804
3.7342 5.7486 11.2625 90 90 90 Immm
atom  x     y     z  occ
Ca1  .5     0 .2041 .180
Er1  .5     0 .2041  .82
Ba1  .5    .5     0
Ni1   0     0     0
O1    0 .2394 .1472
O2   .5     0     0
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Ba Ca0.19 Er1.81 Ni O4.76
 
Alonso J, Rasines I, Rodriguez-Carvajal J, Torrance J
 
Journal of Solid State Chemistry 109 (1994) 231-240
Hole and electron doping of R2BaNiO5 (R=rare earths)
_cod_database_code 1006070
_database_code_amcsd 0013805
3.7106 5.7461 11.3007 90 90 90 Immm
atom  x     y     z  occ
Ca1  .5     0 .2047 .095
Er1  .5     0 .2047 .905
Ba1  .5    .5     0
Ni1   0     0     0
O1    0 .2408 .1487
O2   .5     0     0  .76
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Ba Ca0.34 Er1.66 Ni O4.58
 
Alonso J, Rasines I, Rodriguez-Carvajal J, Torrance J
 
Journal of Solid State Chemistry 109 (1994) 231-240
Hole and electron doping of R2BaNiO5 (R=rare earths)
_cod_database_code 1006071
_database_code_amcsd 0013806
3.6876 5.7467 11.3012 90 90 90 Immm
atom  x     y     z occ
Ca1  .5     0 .2049 .17
Er1  .5     0 .2049 .83
Ba1  .5    .5     0
Ni1   0     0     0
O1    0 .2405 .1476 .99
O2   .5     0     0 .62
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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
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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
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Nd1.8 Ni O3.7 Sr0.2
 
Medarde M, Rodriguez-Carvajal J, Vallet-Regi M, Gonzalez-Calbet J, Alonso J
 
Physical Review B - Condensed Matter 49 (1994) 8591-8599
Crystal structure and microstructure of Nd1.8 Sr0.2 NiO3.72: a K2 Ni F4-
type nickelate with monoclinic symmetry and ordered oxygen vacancies
_cod_database_code 1006139
_database_code_amcsd 0015287
5.3473 5.4554 12.275 90 90 90.782 B2/n
atom   x     y     z occ
Nd1    0 -.009 .3625  .9
Sr1    0 -.009 .3625  .1
Ni1    0     0     0
O1   .25   .25 -.011 .76
O2   .25   .25  .489 .94
O3     0  .054 .1773
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Nd1.8 Ni O3.72 Sr0.2
 
Medarde M, Rodriguez-Carvajal J, Vallet-Regi M, Gonzalez-Calbet J, Alonso J
 
Physical Review B - Condensed Matter 49 (1994) 8591-8599
Crystal structure and microstructure of Nd1.8 Sr0.2 NiO3.72: a K2 Ni F4-
type nickelate with monoclinic symmetry and ordered oxygen vacancies
_cod_database_code 1006140
_database_code_amcsd 0015288
5.3578 5.4394 12.250 90 90 90.788 B2/n
atom   x     y     z occ
Nd1    0 -.008 .3626  .9
Sr1    0 -.008 .3626  .1
Ni1    0     0     0
O1   .25   .25 -.011 .76
O2   .25   .25  .489 .94
O3     0  .053 .1781
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Ba Er2 Ni O5
 
Alonso J, Amador J, Martinez J, Rasines I, Rodriguez-Carvajal J, Saez-Puche R
 
Solid State Communications 76 (1990) 467-474
Neutron diffraction study of the magnetic structure of Er2BaNiO5
_cod_database_code 1006034
_database_code_amcsd 0015481
3.7472 5.7293 11.2755 90 90 90 Immm
atom  x     y     z
Er1   0     0 .2027
Ba1   0    .5     0
Ni1  .5     0     0
O1   .5 .2409 .1483
O2    0     0     0
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Ba Er2 Ni O5
 
Alonso J, Amador J, Martinez J, Rasines I, Rodriguez-Carvajal J, Saez-Puche R
 
Solid State Communications 76 (1990) 467-474
Neutron diffraction study of the magnetic structure of Er2BaNiO5
_cod_database_code 1006035
_database_code_amcsd 0015482
3.7464 5.7289 11.2741 90 90 90 Immm
atom  x     y     z
Er1   0     0 .2027
Ba1   0    .5     0
Ni1  .5     0     0
O1   .5 .2397 .1486
O2    0     0     0
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Ba Ni O5 Tm2
 
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 1006059
_database_code_amcsd 0015513
3.75124 5.72140 11.2456 90 90 90 Immm
atom  x     y     z
Ba1  .5    .5     0
Tm1  .5     0 .2033
Ni1   0     0     0
O1    0 .2399 .1499
O2   .5     0     0
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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 1006060
_database_code_amcsd 0015514
3.74482 5.70668 11.040 90 90 90 Immm
atom  x     y      z
Ba1  .5    .5      0
Yb1  .5     0 .20323
Ni1   0     0      0
O1    0 .2393  .1504
O2   .5     0      0
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Ba Ni O5 Tm2
 
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
Ba1   .9035    .25 .9243
Tm1   .2918    .25 .1244
Tm2   .0755    .25 .3997
Ni1   .6561    .25 .6953
O1    .4356 -.0042 .1703
O2   .22539  .4989 .3641
O3    .1033    .25 .0765
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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
Yb1  .2916    .25 .1241
Yb2  .0743    .25 .3998
Ni1  .6558    .25 .6952
O1   .4358 -.0040 .1701
O2   .2250  .4995 .3645
O3   .1035    .25 .0766
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Total number of retrieved datasets: 16
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