|
O4 Sr Tl2 |
| |
Michel C, Hervieu M, Caignaert V, Raveau B |
 |
Acta Crystallographica C48 (1992) 1747-1749 |
|
Structure Refinement of the semi-Metallic Oxide SrTl2O4: a Neutron |
|
Diffraction Study |
|
_cod_database_code 1001537 |
|
_database_code_amcsd 0010276 |
|
10.0451 11.6905 3.40860 90 90 90 Pnam |
|
atom x y z |
|
Tl1 .4225 .6090 .25 |
|
Tl2 .4212 .1093 .25 |
|
Sr1 .7534 .6504 .25 |
|
O1 .2110 .1772 .25 |
|
O2 .1256 .4777 .25 |
|
O3 .5188 .7790 .25 |
|
O4 .4136 .4254 .25 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ca0.2 Mn O3 Pr0.7 Sr0.1 |
| |
Caignaert V, Suard E, Maignan A, Simon C, Raveau B |
| |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 321 (1995) 515-520 |
|
Variation of the Jahn Teller distortion of Mn at the ferromagnetic |
|
transition in the CMR perovskite Pr0.7 Ca0.2 Sr0.1 Mn O3 |
|
_cod_database_code 1001704 |
|
_database_code_amcsd 0012314 |
|
5.4364 5.4462 7.6755 90 90 90 Pbnm |
|
atom x y z occ |
|
Pr1 .0056 .0306 .25 .7 |
|
Ca1 .0056 .0306 .25 .2 |
|
Sr1 .0056 .0306 .25 .1 |
|
Mn1 .5 0 0 |
|
O1 .0681 .4889 .25 |
|
O2 .7172 .2838 .0351 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ca0.2 Mn O3 Pr0.7 Sr0.1 |
| |
Caignaert V, Suard E, Maignan A, Simon C, Raveau B |
| |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 321 (1995) 515-520 |
|
Variation of the Jahn Teller distortion of Mn at the ferromagnetic |
|
transition in the CMR perovskite Pr0.7 Ca0.2 Sr0.1 Mn O3 |
|
_cod_database_code 1001705 |
|
_database_code_amcsd 0012315 |
|
5.4363 5.4462 7.6768 90 90 90 Pbnm |
|
atom x y z occ |
|
Pr1 .0056 .0306 .25 .7 |
|
Ca1 .0056 .0306 .25 .2 |
|
Sr1 .0056 .0306 .25 .1 |
|
Mn1 .5 0 0 |
|
O1 .0677 .4890 .25 |
|
O2 .7171 .2841 .0351 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ca0.2 Mn O3 Pr0.7 Sr0.1 |
| |
Caignaert V, Suard E, Maignan A, Simon C, Raveau B |
| |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 321 (1995) 515-520 |
|
Variation of the Jahn Teller distortion of Mn at the ferromagnetic |
|
transition in the CMR perovskite Pr0.7 Ca0.2 Sr0.1 Mn O3 |
|
_cod_database_code 1001706 |
|
_database_code_amcsd 0012316 |
|
5.4369 5.4467 7.6799 90 90 90 Pbnm |
|
atom x y z occ |
|
Pr1 .0057 .0304 .25 .7 |
|
Ca1 .0057 .0304 .25 .2 |
|
Sr1 .0057 .0304 .25 .1 |
|
Mn1 .5 0 0 |
|
O1 .0677 .4888 .25 |
|
O2 .7170 .2843 .0351 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ca0.2 Mn O3 Pr0.7 Sr0.1 |
| |
Caignaert V, Suard E, Maignan A, Simon C, Raveau B |
| |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 321 (1995) 515-520 |
|
Variation of the Jahn Teller distortion of Mn at the ferromagnetic |
|
transition in the CMR perovskite Pr0.7 Ca0.2 Sr0.1 Mn O3 |
|
_cod_database_code 1001707 |
|
_database_code_amcsd 0012317 |
|
5.4390 5.4521 7.6839 90 90 90 Pbnm |
|
atom x y z occ |
|
Pr1 .0053 .0309 .25 .7 |
|
Ca1 .0053 .0309 .25 .2 |
|
Sr1 .0053 .0309 .25 .1 |
|
Mn1 .5 0 0 |
|
O1 .0678 .4882 .25 |
|
O2 .7171 .2856 .0362 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ca0.2 Mn O3 Pr0.7 Sr0.1 |
| |
Caignaert V, Suard E, Maignan A, Simon C, Raveau B |
| |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 321 (1995) 515-520 |
|
Variation of the Jahn Teller distortion of Mn at the ferromagnetic |
|
transition in the CMR perovskite Pr0.7 Ca0.2 Sr0.1 Mn O3 |
|
_cod_database_code 1001708 |
|
_database_code_amcsd 0012318 |
|
5.4356 5.4549 7.6936 90 90 90 Pbnm |
|
atom x y z occ |
|
Pr1 .0060 .0290 .25 .7 |
|
Ca1 .0060 .0290 .25 .2 |
|
Sr1 .0060 .0290 .25 .1 |
|
Mn1 .5 0 0 |
|
O1 .0668 .4885 .25 |
|
O2 .7171 .2846 .0359 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cu2 O5.667 Pr Sr2 |
| |
Lucas S, Caignaert V, Hervieu M, Michel C, Raveau B |
| |
European Journal of Solid State and Inorganic Chemistry 29 (1992) 399-409 |
|
The layered cuprates Sr2-xLn1+xCu2O6-d: a structure built up |
|
from the two limit structures Sr2LnCu2O6 and Sr6Ln3Cu6O17 |
|
(Ln=Pr,Y) |
|
_cod_database_code 1001506 |
|
_database_code_amcsd 0012554 |
|
3.7626 11.5157 20.1199 90 90 90 Immm |
|
atom x y z occ |
|
Pr1 0 0 0 |
|
Sr1 0 .3005 0 .27 |
|
Pr2 0 .3005 0 .73 |
|
Sr2 0 0 .1968 .73 |
|
Pr3 0 0 .1968 .27 |
|
Sr3 0 .3229 .1772 |
|
Cu1 0 0 .5881 |
|
Cu2 0 .3517 .6007 |
|
O1 0 .1614 .4152 |
|
O2 0 .1361 .0976 |
|
O3 0 0 .6849 |
|
O4 0 .3482 .7012 |
|
O5 0 .3668 .5 |
|
O6 .295 0 .5 .5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ca3 Mn3 O8.02 |
| |
Nguyen N, Calage Y, Varret F, Ferey G, Caignaert V, Hervieu M, Raveau B |
| |
Journal of Solid State Chemistry 53 (1984) 398-405 |
|
The oxygen defect Perovskite Ca3 Mn1.35 Fe1.65 O8.02: a highly |
|
frustrated antiferromagnet |
|
_cod_database_code 1000194 |
|
_database_code_amcsd 0013529 |
|
5.332 11.13 5.455 90 90 90 Pm2a |
|
atom x y z occ |
|
Ca1 .25 .5 .75 |
|
Ca2 .24 .183 .7 .5 |
|
Ca3 .24 .834 .7 .5 |
|
Mn1 .27 .332 .259 .5 |
|
Mn2 .25 .665 .255 |
|
Mn3 .232 0 .237 .5 |
|
O1 0 .329 0 |
|
O2 0 .665 0 |
|
O3 0 .33 .5 |
|
O4 0 .66 .5 |
|
O5 .25 .5 .25 .7 |
|
O6 .25 .17 .25 |
|
O7 .25 .829 .25 |
|
O8 0 .01 0 |
|
O9 0 .01 .5 .3 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba Fe0.233 Mn0.767 O2.87 |
| |
Caignaert V, Hervieu M, Domenges B, Nguyen N, Pannetier J, Raveau B |
| |
Journal of Solid State Chemistry 73 (1988) 107-117 |
|
BaMn1-xFexO3-d, and Oxygen-Deficient 6H' Oxide Electron |
|
Microscopy, Powder Neutron Diffraction, and Mossbauer Study |
|
_cod_database_code 1001348 |
|
_database_code_amcsd 0013610 |
|
5.687 5.687 14.167 90 90 120 P-6m2 |
|
atom x y z occ |
|
Ba1 0 0 0 |
|
Ba2 1/3 2/3 .5 |
|
Ba3 1/3 2/3 .178 |
|
Ba4 2/3 1/3 .342 |
|
Mn1 0 0 .243 .87 |
|
Fe1 0 0 .243 .13 |
|
Mn2 0 0 .417 .98 |
|
Fe2 0 0 .417 .02 |
|
Mn3 2/3 1/3 .113 .46 |
|
Fe3 2/3 1/3 .113 .54 |
|
O1 .848 .696 .5 |
|
O2 .523 .046 0 .74 |
|
O3 .836 .672 .166 |
|
O4 .152 .304 .329 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bi Cu2 O8 Pb Sr2 Y |
| |
Retoux R, Caignaert V, Provost J, Michel C, Hervieu M, Raveau B |
| |
Journal of Solid State Chemistry 79 (1989) 157-168 |
|
Superconducting properties and Structural Study of |
|
Bi2-xPbxSr2Ca1-xYxCu2O8 (0< x< 1) |
|
_cod_database_code 1001409 |
|
_database_code_amcsd 0013649 |
|
5.385 5.424 30.316 90 90 90 Fmmm |
|
atom x y z occ |
|
Bi1 0 0 .2018 .5 |
|
Pb1 0 0 .2018 .5 |
|
Sr1 0 0 .6147 |
|
Y1 0 0 .5 |
|
Cu1 0 0 .0554 |
|
O1 .25 .25 .049 |
|
O2 0 0 .686 |
|
O3 0 0 .133 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Bi8 La10 O27 |
| |
Michel C, Caignaert V, Raveau B |
| |
Journal of Solid State Chemistry 90 (1991) 296-301 |
|
An oxygen deficient fluorite with a tunnel structure: Bi8La10O27 |
|
_cod_database_code 1001470 |
|
_database_code_amcsd 0013696 |
|
12.079 16.348 4.0988 90 90 90 Immm |
|
atom x y z occ |
|
Bi1 .3158 0 0 |
|
Bi2 0 .3394 0 |
|
La1 .3492 .3203 0 |
|
La2 0 0 0 |
|
O1 0 .063 .5 |
|
O2 0 .241 .5 |
|
O3 .228 .073 0 |
|
O4 .161 .260 0 |
|
O5 .154 .439 0 .375 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Bi8 La10 O27 |
| |
Michel C, Caignaert V, Raveau B |
| |
Journal of Solid State Chemistry 90 (1991) 296-301 |
|
An oxygen deficient fluorite with a tunnel structure: Bi8La10O27 |
|
_cod_database_code 1001471 |
|
_database_code_amcsd 0013697 |
|
12.079 16.348 4.0988 90 90 90 Immm |
|
atom x y z occ |
|
Bi1 .3110 0 0 |
|
Bi2 0 .3316 0 |
|
La1 .3430 .3225 0 |
|
La2 0 0 0 |
|
O1 0 .0916 .5 |
|
O2 0 .2776 .5 |
|
O3 .1878 .0864 0 |
|
O4 .1541 .2647 0 |
|
O5 .1672 .4446 0 .375 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cu6 Nd3 O17 Sr6 |
| |
Caignaert V, Retoux R, Hervieu M, Michel C, Raveau B |
| |
Journal of Solid State Chemistry 91 (1991) 41-46 |
|
Sr6 Nd3 Cu6 O17: an intergrowth of the "123"-phase and rock salt-type |
|
structure |
|
_cod_database_code 1001697 |
|
_database_code_amcsd 0013703 |
|
3.7547 11.4882 20.0976 90 90 90 Immm |
|
atom x y z occ |
|
Nd1 0 0 0 |
|
Nd2 0 .2989 0 .56 |
|
Sr1 0 .2989 0 .44 |
|
Nd3 0 0 .1962 .44 |
|
Sr2 0 0 .1962 .56 |
|
Sr3 0 .3231 .1772 |
|
Cu1 0 0 .5881 |
|
Cu2 0 .3521 .6010 |
|
O1 0 .1610 .4154 |
|
O2 0 .1352 .0979 |
|
O3 0 0 .6849 |
|
O4 0 .3495 .7013 |
|
O5 0 .3678 .5 |
|
O6 .3077 0 .5 .5 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cu Nd O3.56 Sr |
| |
Labbe P, Ledesert M, Caignaert V, Raveau B |
| |
Journal of Solid State Chemistry 91 (1991) 362-369 |
|
Structural peculiarities of two layered cuprates, NdSrCuO3.5 and |
|
Nd1.8Sr1.2Cu2O6-delta |
|
_cod_database_code 1001479 |
|
_database_code_amcsd 0013710 |
|
3.7431 3.7431 12.839 90 90 90 I4/mmm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Nd1 0 0 .35812 .5 .0163 .0163 .0129 0 0 0 |
|
Sr1 0 0 .35812 .5 .0163 .0163 .0129 0 0 0 |
|
Cu1 0 0 0 .0112 .0112 .0086 0 0 0 |
|
O1 0 .5 0 .86 .06 .007 .032 0 0 0 |
|
O2 0 0 .172 .92 .037 .037 .035 0 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cu2 Nd1.79 O6 Sr1.21 |
| |
Labbe P, Ledesert M, Caignaert V, Raveau B |
| |
Journal of Solid State Chemistry 91 (1991) 362-369 |
|
Structural peculiarities of two layered cuprates, NdSrCuO3.5 and |
|
Nd1.8Sr1.2Cu2O6-delta |
|
_cod_database_code 1001480 |
|
_database_code_amcsd 0013711 |
|
3.8365 3.8365 19.652 90 90 90 I4/mmm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Nd1 0 0 0 .75 .0068 .0068 .0040 0 0 0 |
|
Sr1 0 0 0 .25 .0068 .0068 .0040 0 0 0 |
|
Nd2 0 0 .18025 .52 .0144 .0144 .0091 0 0 0 |
|
Sr2 0 0 .18025 .48 .0144 .0144 .0091 0 0 0 |
|
Cu1 0 0 .5916 .0060 .0060 .011 0 0 0 |
|
O1 0 .5 .0817 |
|
O2 0 0 .701 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba0.93 Cu3.01 O7 Pb0.99 Sr1.07 Y |
| |
Rouillon T, Caignaert V, Hervieu M, Michel C, Groult D, Raveau B |
| |
Journal of Solid State Chemistry 97 (1992) 56-64 |
|
PbBaSrYCu3O7: a "0223" structure, intergrowth of single rock salt |
|
layers and triple oxygen-deficient perovskite layers; X-ray, neutron |
|
diffraction, and electron microscopy study |
|
_cod_database_code 1001594 |
|
_database_code_amcsd 0013730 |
|
3.8432 3.8432 27.422 90 90 90 I4mm |
|
atom x y z occ |
|
Cu1 0 0 0 |
|
Ba1 .5 .5 .0689 .66 |
|
Sr1 .5 .5 .0689 .34 |
|
Cu2 0 0 .1535 |
|
Pb1 .5 .5 .2143 .99 |
|
Cu3 .5 .5 .2143 .01 |
|
Ba2 0 0 .3109 .27 |
|
Sr2 0 0 .3109 .73 |
|
Cu4 .5 .5 .3797 |
|
Y1 0 0 .4398 |
|
O1 0 .5 -.0052 |
|
O2 0 0 .0932 |
|
O3 .143 0 .2153 .25 |
|
O4 .5 .5 .2924 |
|
O5 0 .5 .3922 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba Cu3 O7.01 Pb Sr Y |
| |
Rouillon T, Caignaert V, Hervieu M, Michel C, Groult D, Raveau B |
| |
Journal of Solid State Chemistry 97 (1992) 56-64 |
|
PbBaSrYCu3O7: a "0223" structure, intergrowth of single rock salt |
|
layers and triple oxygen-deficient perovskite layers; X-ray, neutron |
|
diffraction, and electron microscopy study |
|
_cod_database_code 1001595 |
|
_database_code_amcsd 0013731 |
|
3.8436 3.8436 27.42599 90 90 90 I4mm |
|
atom x y z occ |
|
Cu1 0 0 0 |
|
Ba1 .5 .5 .0704 .7 |
|
Sr1 .5 .5 .0704 .3 |
|
Cu2 0 0 .1533 |
|
Pb1 .5 .5 .2152 |
|
Ba2 0 0 .3119 .3 |
|
Sr2 0 0 .3119 .7 |
|
Cu3 .5 .5 .3789 |
|
Y1 0 0 .4395 |
|
O1 0 .5 -.0079 |
|
O2 0 0 .0874 |
|
O3 .1366 0 .2190 .25 |
|
O4 .5 .5 .2929 |
|
O5 0 .5 .3869 |
|
O6 .5 .5 .4395 .01 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fe2 O9 Pb1.01 Sr4 |
| |
Caignaert V, Daniel P, Nguyen N, Ducouret A, Groult D, Raveau B |
| |
Journal of Solid State Chemistry 112 (1994) 126-131 |
|
Structure refinement of the 0201-1201 intergrowth-type ferrite PbSr4Fe2O9: |
|
powder neutron diffraction and Mossbauer spectroscopy studies |
|
_cod_database_code 1001606 |
|
_database_code_amcsd 0013824 |
|
3.84845 3.84845 30.68379 90 90 90 I4/mmm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 0 0 0 .62 |
|
Pb2 .140 0 0 .0975 |
|
Sr1 .5 .5 .0855 |
|
Sr2 .5 .5 .2050 |
|
Fe1 0 0 .1512 |
|
O1 .141 0 .5 .25 |
|
O2 0 0 .0642 .0348 .0348 .0501 0 0 0 |
|
O3 .5 0 .1419 |
|
O4 0 0 .2145 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba Co1.6 Cu0.4 O5 Y |
| |
Barbey L, Nguyen N, Caignaert V, Studer F, Raveau B |
| |
Journal of Solid State Chemistry 112 (1994) 148-156 |
|
Spin state and variation of the spin orientation of Co(III) in the 112- |
|
type phase YBa(Co2-xCux)O5 |
|
_cod_database_code 1001607 |
|
_database_code_amcsd 0013825 |
|
3.8724 3.8724 7.4953 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y1 0 0 .5 |
|
Ba1 0 0 0 |
|
Cu1 .5 .5 .2678 .2 |
|
Co1 .5 .5 .2678 .8 |
|
O1 .5 0 .3088 |
|
O2 .5 .5 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba Co1.2 Cu0.8 O5 Y |
| |
Barbey L, Nguyen N, Caignaert V, Studer F, Raveau B |
| |
Journal of Solid State Chemistry 112 (1994) 148-156 |
|
Spin state and variation of the spin orientation of Co(III) in the 112- |
|
type phase YBa(Co2-xCux)O5 |
|
_cod_database_code 1001608 |
|
_database_code_amcsd 0013826 |
|
3.8675 3.8675 7.5238 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y1 0 0 .5 |
|
Ba1 0 0 0 |
|
Cu1 .5 .5 .2720 .4 |
|
Co1 .5 .5 .2720 .6 |
|
O1 .5 0 .3128 |
|
O2 .5 .5 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba Co1.1 Cu0.9 O5 Y |
| |
Barbey L, Nguyen N, Caignaert V, Studer F, Raveau B |
| |
Journal of Solid State Chemistry 112 (1994) 148-156 |
|
Spin state and variation of the spin orientation of Co(III) in the 112- |
|
type phase YBa(Co2-xCux)O5 |
|
_cod_database_code 1001609 |
|
_database_code_amcsd 0013827 |
|
3.8666 3.8666 7.5266 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y1 0 0 .5 |
|
Ba1 0 0 0 |
|
Cu1 .5 .5 .2734 .45 |
|
Co1 .5 .5 .2734 .55 |
|
O1 .5 0 .3130 |
|
O2 .5 .5 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba Cu Fe O5 Y |
| |
Caignaert V, Mirebeau I, Bouree F, Nguyen N, Ducouret A, Greneche J, Raveau B |
| |
Journal of Solid State Chemistry 114 (1995) 24-35 |
|
Crystal and magnetic structure of Y Ba Cu Fe O5 |
|
_cod_database_code 1001640 |
|
_database_code_amcsd 0013833 |
|
3.8751 3.8751 7.6790 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y1 0 0 .5 |
|
Ba1 0 0 0 |
|
Cu1 .5 .5 .2854 .5 |
|
Fe1 .5 .5 .2525 .5 |
|
O1 .5 .5 0 |
|
O2 .5 0 .3156 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba Co Cu0.5 Fe0.5 O5 Y |
| |
Barbey L, Nguyen N, Ducouret A, Caignaert V, Greneche J, Raveau B |
| |
Journal of Solid State Chemistry 115 (1995) 514-520 |
|
Magnetic behaviour of the "112" type substituted cuprate YBaCoCu1-xFexO5 |
|
_cod_database_code 1001648 |
|
_database_code_amcsd 0013856 |
|
3.8785 3.8785 7.5441 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y1 0 0 .5 |
|
Ba1 0 0 0 |
|
Co1 .5 .5 .2652 .5 |
|
Cu1 .5 .5 .2652 .25 |
|
Fe1 .5 .5 .2652 .25 |
|
O1 .5 0 .3123 |
|
O2 .5 .5 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Mn4 O13 Sr5 |
| |
Caignaert V, Domenges B, Raveau B |
| |
Journal of Solid State Chemistry 120 (1995) 279-289 |
|
Synthesis and structure of a new oxycarbonate, Sr5 Mn4 C O3 O10, |
|
closely related to the perovskite structure |
|
_cod_database_code 1001714 |
|
_database_code_amcsd 0013879 |
|
8.7949 8.7949 3.7848 90 90 90 P4/m |
|
atom x y z occ |
|
Sr1 0 0 0 |
|
Sr2 .1783 .3886 0 |
|
Mn1 .3009 .0983 .5 |
|
O1 .3156 .1284 0 |
|
O2 .5 0 .5 |
|
O3 .1078 .2032 .5 |
|
C1 .5 .5 .5 |
|
O4 .430 .390 .5 .75 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Mn Nd0.7 O3 Sr0.3 |
| |
Millange F, Caignaert V, Mather G, Suard E, Raveau B |
| |
Journal of Solid State Chemistry 127 (1996) 131-135 |
|
Low temperature orthorhombic to monoclinic transition due to size |
|
effect in Nd0.7Ca0.3-xSrxMnO3: evidence for a new type of charge ordering |
|
_cod_database_code 1001734 |
|
_database_code_amcsd 0013904 |
|
5.4599 7.7110 5.4660 90 90 90 Pnma |
|
atom x y z occ |
|
Nd1 .0249 .25 -.0048 .7 |
|
Sr1 .0249 .25 -.0048 .3 |
|
Mn1 0 0 .5 |
|
O1 .4904 .25 .0656 |
|
O2 .2803 .0332 .7216 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ca0.22 Mn Nd0.7 O3 Sr0.08 |
| |
Millange F, Caignaert V, Mather G, Suard E, Raveau B |
| |
Journal of Solid State Chemistry 127 (1996) 131-135 |
|
Low temperature orthorhombic to monoclinic transition due to size |
|
effect in Nd0.7Ca0.3-xSrxMnO3: evidence for a new type of charge ordering |
|
_cod_database_code 1001735 |
|
_database_code_amcsd 0013905 |
|
5.4708 7.6708 5.4254 90 90 90 Pnma |
|
atom x y z occ |
|
Nd1 .0348 .25 -.0061 .7 |
|
Sr1 .0348 .25 -.0061 .08 |
|
Ca1 .0348 .25 -.0061 .22 |
|
Mn1 0 0 .5 |
|
O1 .4864 .25 .0729 |
|
O2 .2882 .0378 .7153 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ca0.3 Mn Nd0.7 O3 |
| |
Millange F, Caignaert V, Mather G, Suard E, Raveau B |
| |
Journal of Solid State Chemistry 127 (1996) 131-135 |
|
Low temperature orthorhombic to monoclinic transition due to size |
|
effect in Nd0.7Ca0.3-xSrxMnO3: evidence for a new type of charge ordering |
|
_cod_database_code 1001736 |
|
_database_code_amcsd 0013906 |
|
5.4820 7.6475 5.4096 90 90 90 Pnma |
|
atom x y z occ |
|
Nd1 .0400 .25 -.0077 .7 |
|
Ca1 .0400 .25 -.0077 .3 |
|
Mn1 0 0 .5 |
|
O1 .4837 .25 .0752 |
|
O2 .2917 .0393 .7125 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Mn Nd0.7 O3 Sr0.3 |
| |
Millange F, Caignaert V, Mather G, Suard E, Raveau B |
| |
Journal of Solid State Chemistry 127 (1996) 131-135 |
|
Low temperature orthorhombic to monoclinic transition due to size |
|
effect in Nd0.7Ca0.3-xSrxMnO3: evidence for a new type of charge ordering |
|
_cod_database_code 1001737 |
|
_database_code_amcsd 0013907 |
|
5.4494 7.6964 5.4547 90 90 90 Pnma |
|
atom x y z occ |
|
Nd1 .0259 .25 -.0052 .7 |
|
Sr1 .0259 .25 -.0052 .3 |
|
Mn1 0 0 .5 |
|
O1 .4908 .25 .0655 |
|
O2 .2808 .0332 .7215 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ca0.22 Mn Nd0.7 O3 Sr0.08 |
| |
Millange F, Caignaert V, Mather G, Suard E, Raveau B |
| |
Journal of Solid State Chemistry 127 (1996) 131-135 |
|
Low temperature orthorhombic to monoclinic transition due to size |
|
effect in Nd0.7Ca0.3-xSrxMnO3: evidence for a new type of charge ordering |
|
_cod_database_code 1001738 |
|
_database_code_amcsd 0013908 |
|
5.4734 7.6583 5.4139 90 90 90 Pnma |
|
atom x y z occ |
|
Nd1 .0382 .25 -.0070 .7 |
|
Sr1 .0382 .25 -.0070 .08 |
|
Ca1 .0382 .25 -.0070 .22 |
|
Mn1 0 0 .5 |
|
O1 .4856 .25 .0729 |
|
O2 .2909 .0377 .7150 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ca0.3 Mn Nd0.7 O3 |
| |
Millange F, Caignaert V, Mather G, Suard E, Raveau B |
| |
Journal of Solid State Chemistry 127 (1996) 131-135 |
|
Low temperature orthorhombic to monoclinic transition due to size |
|
effect in Nd0.7Ca0.3-xSrxMnO3: evidence for a new type of charge ordering |
|
_cod_database_code 1001739 |
|
_database_code_amcsd 0013909 |
|
5.4881 7.6337 5.3968 90 90.2 90 P2_1/m |
|
atom x y z occ |
|
Nd1 .0421 .25 -.0084 .7 |
|
Ca1 .0421 .25 -.0084 .3 |
|
Nd2 .5441 .25 .5067 .7 |
|
Ca2 .5441 .25 .5067 .3 |
|
Mn1 0 0 .5 |
|
Mn2 .5 0 0 |
|
O1 .4837 .25 .0756 |
|
O2 .9839 .25 .4240 |
|
O3 .2918 .0412 .7091 |
|
O4 .7967 .038 .7820 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Mn2 O5 Sr2 |
| |
Caignaert V, Nguyen N, Hervieu M, Raveau B |
| |
Materials Research Bulletin 20 (1985) 479-484 |
|
Sr2Mn2O5, an oxygen-defect perovskite with Mn(III) in square |
|
pyramidal coordination |
|
_cod_database_code 1001352 |
|
_database_code_amcsd 0014316 |
|
5.523 10.761 3.811 90 90 90 Pbam |
|
atom x y z |
|
Mn1 .2583 .1236 0 |
|
O1 .2790 .0912 .5 |
|
O2 .5530 .2259 0 |
|
O3 0 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba Ni O5 Y2 |
| |
Benloucif R, Nguyen N, Caignaert V, Raveau B |
| |
Materials Research Bulletin 26 (1991) 213-218 |
|
The solid solution Nd2-xYxBaNiO5, a progressive transition from a |
|
tridimensional to an unidimensional anti-ferromagnetic state |
|
_cod_database_code 1001501 |
|
_database_code_amcsd 0014357 |
|
3.760 5.762 11.339 90 90 90 Immm |
|
atom x y z |
|
Y1 .5 0 .7022 |
|
Ba1 0 0 0 |
|
Ni1 .5 .5 0 |
|
O1 0 .7599 .3504 |
|
O2 .5 0 .5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba Co Cu O4.96 Y |
| |
Barbey L, Nguyen N, Caignaert V, Hervieu M, Raveau B |
| |
Materials Research Bulletin 27 (1992) 295-301 |
|
Mixed oxides of cobalt and copper with a double pyramidal layer structure |
|
_cod_database_code 1001549 |
|
_database_code_amcsd 0014364 |
|
3.8688 3.8688 7.5726 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y1 0 0 .5 |
|
Ba1 0 0 0 |
|
Co1 .5 .5 .2649 .5 |
|
Cu1 .5 .5 .2649 .5 |
|
O1 .5 0 .3137 |
|
O2 .5 .5 0 .96 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fe2 O8 Pb0.5 Sr3 Tl0.5 |
| |
Nguyen N, Groult D, Caignaert V, Ducouret A, Raveau B |
| |
Physica B 228 (1996) 251-260 |
|
Neutron diffraction and Mossbauer spectroscopy studies of the mixed |
|
valent Tl-1212 ferrite (Tl0.5 Pb0.5) Sr3 Fe2 O8 |
|
_cod_database_code 1001757 |
|
_database_code_amcsd 0015006 |
|
3.81474 3.81474 12.8293 90 90 90 P4/mmm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Tl1 .0763 0 0 .125 |
|
Pb1 0 0 0 .5 |
|
Sr1 .5 .5 .5 |
|
Sr2 .5 .5 .2004 |
|
Fe1 0 0 .3500 |
|
O1 .3860 .5 0 .25 |
|
O2 0 0 .1559 .016 .016 .024 0 0 0 |
|
O3 0 0 .5 |
|
O4 0 .5 .3356 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fe2 O8 Pb0.5 Sr3 Tl0.5 |
| |
Nguyen N, Groult D, Caignaert V, Ducouret A, Raveau B |
| |
Physica B 228 (1996) 251-260 |
|
Neutron diffraction and Mossbauer spectroscopy studies of the mixed |
|
valent Tl-1212 ferrite (Tl0.5 Pb0.5) Sr3 Fe2 O8 |
|
_cod_database_code 1001758 |
|
_database_code_amcsd 0015007 |
|
3.81002 3.81002 12.7964 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .0780 0 0 .125 |
|
Pb1 0 0 0 .5 |
|
Sr1 .5 .5 .5 |
|
Sr2 .5 .5 .2009 |
|
Fe1 0 0 .3500 |
|
O1 .3806 .5 0 .25 |
|
O2 0 0 .1629 .480 |
|
O3 0 0 .1507 .520 |
|
O4 0 0 .5 |
|
O5 0 .5 .3359 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
YBa2(Cu.95Fe.05)3O7 |
| |
Roth G, Heger G, Renker B, Pannetier J, Caignaert V, Hervieu M, Raveau B |
| |
Physica C 153 (1988) 972-973 |
|
Crystallographic study of the tetragonal high-Tc superconductor |
|
YBa2(Cu.95Fe.05)3O7 |
|
_cod_database_code 1001377 |
|
_database_code_amcsd 0015010 |
|
3.863 3.863 11.626 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y1 .5 .5 .5 |
|
Ba1 .5 .5 .1861 |
|
Cu1 0 0 0 .98 |
|
Cu2 0 0 .3574 |
|
O1 0 .5 0 .50 |
|
O2 .5 0 .3782 |
|
O3 0 0 .1573 .96 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu2.98 O6.96 Y |
| |
Roth G, Heger G, Renker B, Pannetier J, Caignaert V, Hervieu M, Raveau B |
| |
Physica C 153 (1988) 972-973 |
|
Crystallographic study of the tetragonal high-Tc superconductor |
|
YBa2(Cu.95Fe.05)3O7 |
|
_cod_database_code 1001378 |
|
_database_code_amcsd 0015011 |
|
3.858 3.858 11.585 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y1 .5 .5 .5 |
|
Ba1 .5 .5 .1853 |
|
Cu1 0 0 0 .978 |
|
Cu2 0 0 .3568 |
|
O1 0 .5 0 .50 |
|
O2 .5 0 .3779 |
|
O3 0 0 .1580 .98 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu2.93 O7 Y |
| |
Roth G, Heger G, Renker B, Pannetier J, Caignaert V, Hervieu M, Raveau B |
| |
Physica C 153 (1988) 972-973 |
|
Crystallographic study of the tetragonal high-Tc superconductor |
|
YBa2(Cu.95Fe.05)3O7 |
|
_cod_database_code 1001379 |
|
_database_code_amcsd 0015012 |
|
3.862 3.862 11.673 90 90 90 P4/mmm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Y1 .5 .5 .5 .0057 .0057 .0081 0 0 0 |
|
Ba1 .5 .5 .1855 .0109 .0109 .0102 0 0 0 |
|
Cu1 0 0 0 .941 .0101 .0101 .0064 0 0 0 |
|
Cu2 0 0 .3565 .996 .0054 .0054 .0109 0 0 0 |
|
O1 0 .5 0 .484 .037 .013 .014 0 0 0 |
|
O2 .5 0 .3781 .0028 .009 .0135 0 0 0 |
|
O3 0 0 .1589 .0209 .0209 .0100 0 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cu2 Nd O5.76 Sr2 |
| |
Caignaert V, Retoux R, Michel C, Hervieu M, Raveau B |
| |
Physica C 167 (1990) 483-490 |
|
Neutron diffraction study of the layered cuprate Sr2-xNd1+xCu2O6-y |
|
_cod_database_code 1001459 |
|
_database_code_amcsd 0015019 |
|
3.7701 11.4381 20.0938 90 90 90 Immm |
|
atom x y z occ |
|
Nd1 0 0 0 |
|
Sr1 0 .3018 0 .63 |
|
Nd2 0 .3018 0 .37 |
|
Sr2 0 0 .1954 .37 |
|
Nd3 0 0 .1954 .63 |
|
Sr3 0 .3248 .1770 |
|
Cu1 0 0 .5879 |
|
Cu2 0 .3517 .6005 |
|
O1 0 .1601 .4156 |
|
O2 0 .1362 .0969 |
|
O3 .5 0 .4227 .29 |
|
O4 0 0 .6860 |
|
O5 0 .3485 .7008 |
|
O6 0 .3690 .5 |
|
O7 .284 0 .5 .35 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Ca0.8 Cu2 Nd0.2 O6.86 Tl0.96 |
| |
Michel C, Suard E, Caignaert V, Martin C, Maignan A, Hervieu M, Raveau B |
| |
Physica C 178 (1991) 29-36 |
|
Neutron diffraction structure determination of the "1212"-series |
|
TlBa2Ca1-xNdxCu2O7-d |
|
_cod_database_code 1001484 |
|
_database_code_amcsd 0015022 |
|
3.85638 3.85638 12.6534 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .0846 0 0 .240 |
|
Ba1 .5 .5 .2147 |
|
Ca1 .5 .5 .5 .8 |
|
Nd1 .5 .5 .5 .2 |
|
Cu1 0 0 .3717 |
|
O1 0 .5 .3779 |
|
O2 0 0 .1594 |
|
O3 .5524 .5 0 .215 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Ca0.5 Cu2 Nd0.5 O6.86 Tl0.95 |
| |
Michel C, Suard E, Caignaert V, Martin C, Maignan A, Hervieu M, Raveau B |
| |
Physica C 178 (1991) 29-36 |
|
Neutron diffraction structure determination of the "1212"-series |
|
TlBa2Ca1-xNdxCu2O7-d |
|
_cod_database_code 1001485 |
|
_database_code_amcsd 0015023 |
|
3.87677 3.87677 12.6045 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .0771 0 0 .237 |
|
Ba1 .5 .5 .2134 |
|
Ca1 .5 .5 .5 .5 |
|
Nd1 .5 .5 .5 .5 |
|
Cu1 0 0 .3696 |
|
O1 0 .5 .3780 |
|
O2 0 0 .1613 |
|
O3 .5712 .5 0 .215 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu2 Nd O6.96 Tl0.96 |
| |
Michel C, Suard E, Caignaert V, Martin C, Maignan A, Hervieu M, Raveau B |
| |
Physica C 178 (1991) 29-36 |
|
Neutron diffraction structure determination of the "1212"-series |
|
TlBa2Ca1-xNdxCu2O7-d |
|
_cod_database_code 1001486 |
|
_database_code_amcsd 0015024 |
|
3.91021 3.91021 12.4916 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .0717 0 0 .24 |
|
Ba1 .5 .5 .2055 |
|
Nd1 .5 .5 .5 |
|
Cu1 0 0 .3633 |
|
O1 0 .5 .3785 |
|
O2 0 0 .1662 |
|
O3 .6199 .5 0 .24 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Ca0.09 Cu2.91 Fe0.09 O7.01 Y0.91 |
| |
Suard E, Caignaert V, Maignan A, Raveau B |
| |
Physica C 182 (1991) 219-227 |
|
The important role of pyramidal copper layers of the 123-structure in |
|
superconductivity. The oxides Ba2Y1-xCaxCu3-xFexO7 and |
|
Ba2Y1-xCaxCu3-xFexO6 |
|
_cod_database_code 1001490 |
|
_database_code_amcsd 0015029 |
|
3.8602 3.8602 11.6646 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y1 .5 .5 .5 .91 |
|
Ca1 .5 .5 .5 .09 |
|
Ba1 .5 .5 .1857 |
|
Cu1 0 0 0 .91 |
|
Fe1 0 0 0 .09 |
|
Cu2 0 0 .3566 |
|
O1 0 .5 .3771 |
|
O2 0 0 .1579 |
|
O3 0 .5 0 .505 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Ca0.12 Cu2.88 Fe0.12 O6.98 Y0.88 |
| |
Suard E, Caignaert V, Maignan A, Raveau B |
| |
Physica C 182 (1991) 219-227 |
|
The important role of pyramidal copper layers of the 123-structure in |
|
superconductivity. The oxides Ba2Y1-xCaxCu3-xFexO7 and |
|
Ba2Y1-xCaxCu3-xFexO6 |
|
_cod_database_code 1001491 |
|
_database_code_amcsd 0015030 |
|
3.8604 3.8604 11.6725 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y1 .5 .5 .5 .88 |
|
Ca1 .5 .5 .5 .12 |
|
Ba1 .5 .5 .1863 |
|
Cu1 0 0 0 .88 |
|
Fe1 0 0 0 .12 |
|
Cu2 0 0 .3571 |
|
O1 0 .5 .3770 |
|
O2 0 0 .1578 |
|
O3 0 .5 0 .490 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Ca0.15 Cu2.85 Fe0.15 O7.12 Y0.85 |
| |
Suard E, Caignaert V, Maignan A, Raveau B |
| |
Physica C 182 (1991) 219-227 |
|
The important role of pyramidal copper layers of the 123-structure in |
|
superconductivity. The oxides Ba2Y1-xCaxCu3-xFexO7 and |
|
Ba2Y1-xCaxCu3-xFexO6 |
|
_cod_database_code 1001492 |
|
_database_code_amcsd 0015031 |
|
3.8608 3.8608 11.6653 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y1 .5 .5 .5 .85 |
|
Ca1 .5 .5 .5 .15 |
|
Ba1 .5 .5 .1873 |
|
Cu1 0 0 0 .85 |
|
Fe1 0 0 0 .15 |
|
Cu2 0 0 .3578 |
|
O1 0 .5 .3764 |
|
O2 0 0 .1553 |
|
O3 0 .5 0 .56 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Ca0.24 Cu2.76 Fe0.24 O7.04 Y0.76 |
| |
Suard E, Caignaert V, Maignan A, Raveau B |
| |
Physica C 182 (1991) 219-227 |
|
The important role of pyramidal copper layers of the 123-structure in |
|
superconductivity. The oxides Ba2Y1-xCaxCu3-xFexO7 and |
|
Ba2Y1-xCaxCu3-xFexO6 |
|
_cod_database_code 1001493 |
|
_database_code_amcsd 0015032 |
|
3.8637 3.8637 11.6899 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y1 .5 .5 .5 .76 |
|
Ca1 .5 .5 .5 .24 |
|
Ba1 .5 .5 .1892 |
|
Cu1 0 0 0 .76 |
|
Fe1 0 0 0 .24 |
|
Cu2 0 0 .3588 |
|
O1 0 .5 .3761 |
|
O2 0 0 .1551 |
|
O3 0 .5 0 .520 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ba2 Ca0.09 Cu2.91 Fe0.09 O6 Y0.91 |
| |
Suard E, Caignaert V, Maignan A, Raveau B |
| |
Physica C 182 (1991) 219-227 |
|
The important role of pyramidal copper layers of the 123-structure in |
|
superconductivity. The oxides Ba2Y1-xCaxCu3-xFexO7 and |
|
Ba2Y1-xCaxCu3-xFexO6 |
|
_cod_database_code 1001494 |
|
_database_code_amcsd 0015033 |
|
3.8588 3.8588 11.8199 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y1 .5 .5 .5 .91 |
|
Ca1 .5 .5 .5 .09 |
|
Ba1 .5 .5 .1952 |
|
Cu1 0 0 0 |
|
Cu2 0 0 .3611 .955 |
|
Fe1 0 0 .3611 .045 |
|
O1 0 .5 .3783 |
|
O2 0 0 .1526 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Ca0.24 Cu2.76 Fe0.24 O6 Y0.76 |
| |
Suard E, Caignaert V, Maignan A, Raveau B |
| |
Physica C 182 (1991) 219-227 |
|
The important role of pyramidal copper layers of the 123-structure in |
|
superconductivity. The oxides Ba2Y1-xCaxCu3-xFexO7 and |
|
Ba2Y1-xCaxCu3-xFexO6 |
|
_cod_database_code 1001495 |
|
_database_code_amcsd 0015034 |
|
3.8616 3.8616 11.8163 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y1 .5 .5 .5 .76 |
|
Ca1 .5 .5 .5 .24 |
|
Ba1 .5 .5 .1957 |
|
Cu1 0 0 0 |
|
Cu2 0 0 .3610 .88 |
|
Fe1 0 0 .3610 .12 |
|
O1 0 .5 .3775 |
|
O2 0 0 .1526 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Ca0.09 Cu2.91 Fe0.09 O7.05 Y0.91 |
| |
Suard E, Caignaert V, Maignan A, Raveau B |
| |
Physica C 182 (1991) 219-227 |
|
The important role of pyramidal copper layers of the 123-structure in |
|
superconductivity. The oxides Ba2Y1-xCaxCu3-xFexO7 and |
|
Ba2Y1-xCaxCu3-xFexO6 |
|
_cod_database_code 1001496 |
|
_database_code_amcsd 0015035 |
|
3.8227 3.8227 11.6689 90 90 90 Pmmm |
|
atom x y z occ |
|
Y1 .5 .5 .5 .91 |
|
Ca1 .5 .5 .5 .09 |
|
Ba1 .5 .5 .1846 |
|
Cu1 0 0 0 |
|
Cu2 0 0 .3549 .955 |
|
Fe1 0 0 .3549 .045 |
|
O1 0 .5 .3782 |
|
O2 .5 0 .3771 |
|
O3 0 0 .1587 |
|
O4 .5 0 0 .92 |
|
O5 0 .5 0 .13 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Ca0.24 Cu2.76 Fe0.24 O7.07 Y0.76 |
| |
Suard E, Caignaert V, Maignan A, Raveau B |
| |
Physica C 182 (1991) 219-227 |
|
The important role of pyramidal copper layers of the 123-structure in |
|
superconductivity. The oxides Ba2Y1-xCaxCu3-xFexO7 and |
|
Ba2Y1-xCaxCu3-xFexO6 |
|
_cod_database_code 1001497 |
|
_database_code_amcsd 0015036 |
|
3.8263 3.8263 11.6643 90 90 90 Pmmm |
|
atom x y z occ |
|
Y1 .5 .5 .5 .76 |
|
Ca1 .5 .5 .5 .24 |
|
Ba1 .5 .5 .1841 |
|
Cu1 0 0 0 |
|
Cu2 0 0 .3544 .88 |
|
Fe1 0 0 .3544 .12 |
|
O1 0 .5 .3766 |
|
O2 .5 0 .3760 |
|
O3 0 0 .1592 |
|
O4 .5 0 0 .93 |
|
O5 0 .5 0 .14 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Ca0.14 Co0.12 Cu2.88 O6.96 Y0.86 |
| |
Suard E, Caignaert V, Maignan A, Bouree F, Raveau B |
| |
Physica C 210 (1993) 164-172 |
|
Influence of thermal treatment on Y1-xCaxBa2Cu3-xCoxO7. |
|
A neutron diffraction study |
|
_cod_database_code 1001586 |
|
_database_code_amcsd 0015047 |
|
3.8618 3.8618 11.6910 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y1 .5 .5 .5 .86 |
|
Ca1 .5 .5 .5 .14 |
|
Ba1 .5 .5 .1872 |
|
Cu1 0 0 0 .88 |
|
Co1 0 0 0 .12 |
|
Cu2 0 0 .3575 |
|
O1 0 .5 .3770 |
|
O2 0 0 .1562 |
|
O3 .046 .5 0 .240 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Ca0.18 Co0.24 Cu2.76 O7 Y0.82 |
| |
Suard E, Caignaert V, Maignan A, Bouree F, Raveau B |
| |
Physica C 210 (1993) 164-172 |
|
Influence of thermal treatment on Y1-xCaxBa2Cu3-xCoxO7. |
|
A neutron diffraction study |
|
_cod_database_code 1001587 |
|
_database_code_amcsd 0015048 |
|
3.8649 3.8649 11.7053 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y1 .5 .5 .5 .82 |
|
Ca1 .5 .5 .5 .18 |
|
Ba1 .5 .5 .1897 |
|
Cu1 0 0 0 .76 |
|
Co1 0 0 0 .24 |
|
Cu2 0 0 .3588 |
|
O1 0 .5 .3767 |
|
O2 0 0 .1544 |
|
O3 .058 .5 0 .250 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Ca0.27 Co0.3 Cu2.7 O7 Y0.73 |
| |
Suard E, Caignaert V, Maignan A, Bouree F, Raveau B |
| |
Physica C 210 (1993) 164-172 |
|
Influence of thermal treatment on Y1-xCaxBa2Cu3-xCoxO7. |
|
A neutron diffraction study |
|
_cod_database_code 1001588 |
|
_database_code_amcsd 0015049 |
|
3.8646 3.8646 11.7257 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y1 .5 .5 .5 .73 |
|
Ca1 .5 .5 .5 .27 |
|
Ba1 .5 .5 .1903 |
|
Cu1 0 0 0 .7 |
|
Co1 0 0 0 .3 |
|
Cu2 0 0 .3600 |
|
O1 0 .5 .3762 |
|
O2 0 0 .1536 |
|
O3 .062 .5 0 .250 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Ca0.15 Co0.36 Cu2.64 O7.05 Y0.85 |
| |
Suard E, Caignaert V, Maignan A, Bouree F, Raveau B |
| |
Physica C 210 (1993) 164-172 |
|
Influence of thermal treatment on Y1-xCaxBa2Cu3-xCoxO7. |
|
A neutron diffraction study |
|
_cod_database_code 1001589 |
|
_database_code_amcsd 0015050 |
|
3.8690 3.8690 11.6982 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y1 .5 .5 .5 .85 |
|
Ca1 .5 .5 .5 .15 |
|
Ba1 .5 .5 .1912 |
|
Cu1 0 0 0 .64 |
|
Co1 0 0 0 .36 |
|
Cu2 0 0 .3598 |
|
O1 0 .5 .3763 |
|
O2 0 0 .1527 |
|
O3 .066 .5 0 .2625 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Ca0.15 Co0.12 Cu2.88 O7.01 Y0.85 |
| |
Suard E, Caignaert V, Maignan A, Bouree F, Raveau B |
| |
Physica C 210 (1993) 164-172 |
|
Influence of thermal treatment on Y1-xCaxBa2Cu3-xCoxO7. |
|
A neutron diffraction study |
|
_cod_database_code 1001590 |
|
_database_code_amcsd 0015051 |
|
3.8424 3.8810 11.6821 90 90 90 Pmmm |
|
atom x y z occ |
|
Y1 .5 .5 .5 .85 |
|
Ca1 .5 .5 .5 .15 |
|
Ba1 .5 .5 .1858 |
|
Cu1 0 0 0 .89 |
|
Co1 0 0 0 .11 |
|
Cu2 0 0 .3565 .995 |
|
Co2 0 0 .3565 .005 |
|
O1 0 .5 .3785 |
|
O2 .5 0 .3754 |
|
O3 0 0 .1577 |
|
O4 .051 .5 0 .395 |
|
O5 .5 .051 0 .11 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Ca0.27 Co0.36 Cu2.64 O7.05 Y0.73 |
| |
Suard E, Caignaert V, Maignan A, Bouree F, Raveau B |
| |
Physica C 210 (1993) 164-172 |
|
Influence of thermal treatment on Y1-xCaxBa2Cu3-xCoxO7. |
|
A neutron diffraction study |
|
_cod_database_code 1001591 |
|
_database_code_amcsd 0015052 |
|
3.8666 3.8666 11.6726 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y1 .5 .5 .5 .73 |
|
Ca1 .5 .5 .5 .27 |
|
Ba1 .5 .5 .1886 |
|
Cu1 0 0 0 .73 |
|
Co1 0 0 0 .27 |
|
Cu2 0 0 .3585 .955 |
|
Co2 0 0 .3585 .045 |
|
O1 0 .5 .3758 |
|
O2 0 0 .1564 |
|
O3 .059 .5 0 .2625 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Mn Nd0.5 O3 Sr0.5 |
| |
Caignaert V, Millange F, Hervieu M, Suard E, Raveau B |
| |
Solid State Communications 99 (1996) 173-177 |
|
The manganite Nd0.5 Sr0.5 Mn O3: a rare distortion of the perovskite |
|
_cod_database_code 1001765 |
|
_database_code_amcsd 0015489 |
|
5.431 7.625 5.477 90 90 90 Imma |
|
atom x y z occ |
|
Nd1 0 .25 .0016 .5 |
|
Sr1 0 .25 .0016 .5 |
|
Mn1 0 0 .5 |
|
O1 0 .25 .5534 |
|
O2 .25 .0268 .75 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu2.79 Fe0.15 O6.92 Y |
| |
Roth G, Heger G, Renker B, Pannetier J, Caignaert V, Hervieu M, Raveau B |
| |
Zeitschrift fur Physik, B 71 (1988) 43-52 |
|
Crystallographic study of tetragonal, superconducting |
|
YBa2(Cu0.93Fe0.05)3O7 |
|
_cod_database_code 1001422 |
|
_database_code_amcsd 0015853 |
|
3.863 3.863 11.626 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y1 .5 .5 .5 |
|
Ba1 .5 .5 .1861 |
|
Cu1 0 0 0 .86 |
|
Fe1 0 0 0 .1 |
|
Cu2 0 0 .3574 .97 |
|
Fe2 0 0 .3574 .03 |
|
O1 0 .5 0 .50 |
|
O2 .5 0 .3782 |
|
O3 0 0 .1573 .96 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu2.79 Fe0.15 O6.96 Y |
| |
Roth G, Heger G, Renker B, Pannetier J, Caignaert V, Hervieu M, Raveau B |
| |
Zeitschrift fur Physik, B 71 (1988) 43-52 |
|
Crystallographic study of tetragonal, superconducting |
|
YBa2(Cu0.93Fe0.05)3O7 |
|
_cod_database_code 1001423 |
|
_database_code_amcsd 0015854 |
|
3.858 3.858 11.585 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y1 .5 .5 .5 |
|
Ba1 .5 .5 .1853 |
|
Cu1 0 0 0 .86 |
|
Fe1 0 0 0 .1 |
|
Cu2 0 0 .3568 .97 |
|
Fe2 0 0 .3568 .03 |
|
O1 0 .5 0 .50 |
|
O2 .5 0 .3779 |
|
O3 0 0 .1580 .98 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ba2 Cu2.79 Fe0.15 O6.96 Y |
| |
Roth G, Heger G, Renker B, Pannetier J, Caignaert V, Hervieu M, Raveau B |
| |
Zeitschrift fur Physik, B 71 (1988) 43-52 |
|
Crystallographic study of tetragonal, superconducting |
|
YBa2(Cu0.93Fe0.05)3O7 |
|
_cod_database_code 1001424 |
|
_database_code_amcsd 0015855 |
|
3.862 3.862 11.673 90 90 90 P4/mmm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Y1 .5 .5 .5 .0057 .0057 .0081 0 0 0 |
|
Ba1 .5 .5 .1855 .0109 .0109 .0102 0 0 0 |
|
Cu1 0 0 0 .86 .0101 .0101 .0064 0 0 0 |
|
Fe1 0 0 0 .1 .0101 .0101 .0064 0 0 0 |
|
Cu2 0 0 .3565 .97 .0054 .0054 .0109 0 0 0 |
|
Fe2 0 0 .3565 .03 .0054 .0054 .0109 0 0 0 |
|
O1 0 .5 0 .484 .037 .013 .014 0 0 0 |
|
O2 .5 0 .3781 .0028 .009 .0135 0 0 0 |
|
O3 0 0 .1589 .0209 .0209 .0100 0 0 0 |
|
|
| 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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