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Fe2 O9 Sr4 Tl0.965 |
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Daniel P, Barbey L, Groult D, Nguyen N, Van Tendeloo G, Raveau B |
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European Journal of Solid State and Inorganic Chemistry 31 (1994) 235-244 |
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Mixed valent iron oxides with the 0201-1201 intergrowth structure: |
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(Pb1-x Tlx) Sr4 Fe2 O9 (0 |
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_cod_database_code 1001629 |
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_database_code_amcsd 0012587 |
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3.8048 3.8048 30.46799 90 90 90 I4/mmm |
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atom x y z occ |
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Tl1 .083 0 0 .2412 |
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Sr1 .5 .5 .0829 |
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Sr2 .5 .5 .2049 |
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Fe1 0 0 .1490 |
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O1 .137 0 .5 .25 |
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O2 0 0 .0684 |
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O3 .5 0 .1431 |
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O4 0 0 .2144 |
|
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|
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Fe2 O8 Sr3 Tl0.95 |
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Daniel P, Barbey L, Nguyen N, Ducouret A, Groult D, Raveau B |
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Journal of Physics and Chemistry of Solids 55 (1994) 795-802 |
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New mixed-valent iron oxides with the 1212-type structure: Tl1-xPbxSr3Fe2O8 |
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_cod_database_code 1001672 |
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_database_code_amcsd 0013242 |
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3.811 3.811 12.780 90 90 90 P4/mmm |
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atom x y z occ |
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Tl1 .064 0 0 .2375 |
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Sr1 .5 .5 .5 |
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Sr2 .5 .5 .1948 |
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Fe1 0 0 .3453 |
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O1 .362 .5 0 .25 |
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O2 0 0 .173 |
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O3 0 0 .5 |
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O4 0 .5 .3364 |
|
|
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|
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Fe2 O8 Pb0.485 Sr3 Tl0.485 |
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Daniel P, Barbey L, Nguyen N, Ducouret A, Groult D, Raveau B |
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Journal of Physics and Chemistry of Solids 55 (1994) 795-802 |
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New mixed-valent iron oxides with the 1212-type structure: Tl1-xPbxSr3Fe2O8 |
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_cod_database_code 1001673 |
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_database_code_amcsd 0013243 |
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3.8180 3.8180 12.834 90 90 90 P4/mmm |
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atom x y z occ |
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Tl1 .064 0 0 .1213 |
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Pb1 .064 0 0 .1213 |
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Sr1 .5 .5 .5 |
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Sr2 .5 .5 .1989 |
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Fe1 0 0 .3516 |
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O1 .389 .5 0 .25 |
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O2 0 0 .1679 |
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O3 0 0 .5 |
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O4 0 .5 .3342 |
|
|
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|
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Ba Cu Nd1.6 O5 Sr0.4 |
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Barbey L, Nguyen N, Raveau B |
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Journal of Solid State Chemistry 102 (1993) 156-163 |
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Nd2BaCuO5-type structure: nickel in square planar coordination and |
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copper mixed valency |
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_cod_database_code 1001557 |
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_database_code_amcsd 0013760 |
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6.7226 6.7226 5.7932 90 90 90 P4/mbm |
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atom x y z occ |
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Ba1 .5 .5 .5 |
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Nd1 .1737 .6737 0 .8 |
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Sr1 .1737 .6737 0 .2 |
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Cu1 .5 0 .5 |
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O1 0 0 0 |
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O2 .3686 .8686 .2623 |
|
|
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|
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Ba Ca0.2 Cu0.6 Nd1.8 Ni0.4 O5 |
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Barbey L, Nguyen N, Raveau B |
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Journal of Solid State Chemistry 102 (1993) 156-163 |
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Nd2BaCuO5-type structure: nickel in square planar coordination and |
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copper mixed valency |
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_cod_database_code 1001558 |
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_database_code_amcsd 0013761 |
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6.6909 6.6909 5.7601 90 90 90 P4/mbm |
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atom x y z occ |
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Ba1 .5 .5 .5 |
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Nd1 .1740 .6740 0 .9 |
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Ca1 .1740 .6740 0 .1 |
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Cu1 .5 0 .5 .6 |
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Ni1 .5 0 .5 .4 |
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O1 0 0 0 |
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O2 .3593 .8593 .2674 |
|
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|
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Nd2Ba4Cu2O9 |
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Domenges B, Abbattista F, Michel C, Vallino M, Barbey L, Nguyen N, Raveau B |
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Journal of Solid State Chemistry 106 (1993) 271-281 |
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A one-dimensional cuprate closely related to the "0212"-structure: Nd2Ba4Cu2O9 |
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_cod_database_code 1001569 |
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_database_code_amcsd 0013784 |
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12.0717 12.0717 3.8737 90 90 90 P-4n2 |
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atom x y z |
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Ba1 .1132 .1761 .75 |
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Nd1 .3879 .1121 .25 |
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Cu1 .1005 .3995 .25 |
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O1 .404 .904 .25 |
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O2 0 0 .5 |
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O3 .245 .255 .25 |
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O4 -.026 .300 .25 |
|
|
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|
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Ba2.5 Co2 Cu3 Eu2.5 O12 |
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Barbey L, Domenges B, Nguyen N, Raveau B |
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Journal of Solid State Chemistry 111 (1994) 238-246 |
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Eu2.5Ba2.5Co2Cu3O12, an intergrowth of the "112" and "123" structures |
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_cod_database_code 1001601 |
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_database_code_amcsd 0013812 |
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3.8935 3.8935 19.08499 90 90 90 P4/mmm |
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atom x y z occ |
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Eu1 .5 .5 .1996 |
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Ba1 .5 .5 0 |
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Eu2 .5 .5 .3892 .25 |
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Ba2 .5 .5 .3892 .75 |
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Cu1 0 0 .5 .333 |
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Co1 0 0 .5 .667 |
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Cu2 0 0 .2934 |
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Cu3 0 0 .1077 .333 |
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Co2 0 0 .1077 .667 |
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O1 0 0 0 |
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O2 .5 0 .122 |
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O3 .5 0 .277 |
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O4 0 0 .407 |
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O5 .5 0 .5 .5 |
|
|
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|
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Ba Co1.6 Cu0.4 O5 Y |
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Barbey L, Nguyen N, Caignaert V, Studer F, Raveau B |
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Journal of Solid State Chemistry 112 (1994) 148-156 |
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Spin state and variation of the spin orientation of Co(III) in the 112- |
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type phase YBa(Co2-xCux)O5 |
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_cod_database_code 1001607 |
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_database_code_amcsd 0013825 |
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3.8724 3.8724 7.4953 90 90 90 P4/mmm |
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atom x y z occ |
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Y1 0 0 .5 |
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Ba1 0 0 0 |
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Cu1 .5 .5 .2678 .2 |
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Co1 .5 .5 .2678 .8 |
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O1 .5 0 .3088 |
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O2 .5 .5 0 |
|
|
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|
| |
|
Ba Co1.2 Cu0.8 O5 Y |
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Barbey L, Nguyen N, Caignaert V, Studer F, Raveau B |
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Journal of Solid State Chemistry 112 (1994) 148-156 |
|
Spin state and variation of the spin orientation of Co(III) in the 112- |
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type phase YBa(Co2-xCux)O5 |
|
_cod_database_code 1001608 |
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_database_code_amcsd 0013826 |
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3.8675 3.8675 7.5238 90 90 90 P4/mmm |
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atom x y z occ |
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Y1 0 0 .5 |
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Ba1 0 0 0 |
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Cu1 .5 .5 .2720 .4 |
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Co1 .5 .5 .2720 .6 |
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O1 .5 0 .3128 |
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O2 .5 .5 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba Co1.1 Cu0.9 O5 Y |
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Barbey L, Nguyen N, Caignaert V, Studer F, Raveau B |
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Journal of Solid State Chemistry 112 (1994) 148-156 |
|
Spin state and variation of the spin orientation of Co(III) in the 112- |
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type phase YBa(Co2-xCux)O5 |
|
_cod_database_code 1001609 |
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_database_code_amcsd 0013827 |
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3.8666 3.8666 7.5266 90 90 90 P4/mmm |
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atom x y z occ |
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Y1 0 0 .5 |
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Ba1 0 0 0 |
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Cu1 .5 .5 .2734 .45 |
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Co1 .5 .5 .2734 .55 |
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O1 .5 0 .3130 |
|
O2 .5 .5 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba Co Cu0.5 Fe0.5 O5 Y |
| |
Barbey L, Nguyen N, Ducouret A, Caignaert V, Greneche J, Raveau B |
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Journal of Solid State Chemistry 115 (1995) 514-520 |
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Magnetic behaviour of the "112" type substituted cuprate YBaCoCu1-xFexO5 |
|
_cod_database_code 1001648 |
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_database_code_amcsd 0013856 |
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3.8785 3.8785 7.5441 90 90 90 P4/mmm |
|
atom x y z occ |
|
Y1 0 0 .5 |
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Ba1 0 0 0 |
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Co1 .5 .5 .2652 .5 |
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Cu1 .5 .5 .2652 .25 |
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Fe1 .5 .5 .2652 .25 |
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O1 .5 0 .3123 |
|
O2 .5 .5 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
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 |
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Y1 0 0 .5 |
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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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|
| |
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