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Co O3.111 Sr0.9999 Tl0.41 |
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Boullay P, Domenges B, Hervieu M, Groult D, Raveau B |
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Chemistry of Materials 8 (1996) 1482-1489 |
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Evidence for the first misfit layer oxide Tl0.41 (Sr0.9 O)1.12 Co O2 |
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_cod_database_code 1001719 |
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_database_code_amcsd 0012211 |
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4.95 25.18999 11.66 90 97.76 90 Cm |
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atom x y z occ |
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Sr1 .025 0 .89 .9 |
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Sr2 .025 .2 .89 .9 |
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Sr3 .025 .4 .89 .9 |
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Sr4 .025 .5 .11 .9 |
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Sr5 .025 .7 .11 .9 |
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Sr6 .025 .9 .11 .9 |
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Co1 0 0 .5 |
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Co2 0 .111 .5 |
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Co3 0 .222 .5 |
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Co4 0 .333 .5 |
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Co5 0 .444 .5 |
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Tl1 .4 0 .71 .615 |
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Tl2 .4 .222 .71 .615 |
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Tl3 .45 .5 .28 .615 |
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Tl4 .45 .7225 .28 .615 |
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O1 .02 0 .11 |
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O2 .02 .2 .11 |
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O3 .02 .4 .11 |
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O4 .02 .5 .89 |
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O5 .02 .7 .89 |
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O6 .02 .9 .89 |
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O7 .3 0 .4 |
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O8 .3 .111 .4 |
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O9 .3 .222 .4 |
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O10 .3 .333 .4 |
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O11 .3 .444 .4 |
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O12 .2 .0555 .6 |
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O13 .2 .1665 .6 |
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O14 .2 .2775 .6 |
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O15 .2 .3885 .6 |
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O16 .2 .5 .6 |
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Ba4 Ca0.7 Cu5 O14 Y1.3 |
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Domenges B, Boullay P, Hervieu M, Raveau B |
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Journal of Solid State Chemistry 108 (1994) 219-229 |
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The substitution of CO3 groups for copper in Y1-xCaxBa2Cu3O7: HREM study |
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_cod_database_code 1001615 |
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_database_code_amcsd 0013793 |
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7.7704 3.8876 22.98119 90 90 90 Bm2m |
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atom x y z occ |
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Y1 .25 .5 .75 .65 |
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Ca1 .25 .5 .75 .35 |
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Ba1 .2414 .5 .9066 |
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C1 .5 0 0 |
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Cu1 0 0 0 |
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Cu2 .5 0 .8190 |
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Cu3 0 0 .8190 |
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O1 0 0 .915 |
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O2 .44 0 .944 .5 |
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O3 .25 0 .815 |
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O4 0 .5 .811 |
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O5 .5 .5 .811 |
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O6 0 .5 0 |
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O7 .67 0 0 .5 |
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Fe2 Hg0.3 O9 Pr0.57 Sr4 |
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Boullay P, Domenges B, Groult D, Raveau B |
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Journal of Solid State Chemistry 124 (1996) 1-7 |
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A mercury-based ferrite with a 0201-1201 structure: (Hg, Pr) Sr4 Fe2 O9 |
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_cod_database_code 1001740 |
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_database_code_amcsd 0013892 |
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3.8174 3.8138 30.33899 90 90 90 Immm |
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atom x y z occ |
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Hg1 0 0 0 .30 |
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Pr1 0 0 0 .57 |
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Sr1 .5 .5 .0839 |
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Sr2 .5 .5 .2054 |
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Fe1 0 0 .1476 |
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O1 .19 0 .5 .5 |
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O2 0 0 .071 |
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O3 .5 0 .1412 |
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O4 0 .5 .1412 |
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O5 0 0 .214 |
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Ba6Mn24O48 |
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Boullay P, Hervieu M, Raveau B |
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Journal of Solid State Chemistry 132 (1997) 239-248 |
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A new manganite with an original composite tunnel structure: Ba6Mn24O48 |
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_cod_database_code 1001810 |
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_database_code_amcsd 0013934 |
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18.17299 18.17299 2.836 90 90 90 I4/m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ba1 0 0 .5 .71 .01 .01 .25 0 0 0 |
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Ba2 .316 .170 .5 .61 .03 .03 .29 -.07 0 0 |
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Mn1 .215 -.005 0 |
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Mn2 .370 -.006 .5 |
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Mn3 .373 .347 0 |
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O1 .313 .040 0 |
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O2 .115 .934 0 |
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O3 .588 .062 0 |
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O4 .193 .183 0 |
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O5 .440 .244 0 |
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O6 .561 .319 0 |
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| Download AMC data (View Text File)
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Ba Fe2 Hg0.467 O8.75 Sr2 Tl1.402 |
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Nguyen N, Groult D, Boullay P, Michel C, Raveau B |
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Journal of Solid State Chemistry 132 (1997) 308-314 |
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New mixed valent ferrites (Tl1.5 Hg0.5) Sr3-x Bax Fe2 O9-d (0 |
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the Tl-2212-type structure |
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_cod_database_code 1001812 |
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_database_code_amcsd 0013937 |
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3.8445 3.8445 30.09799 90 90 90 I4/mmm |
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atom x y z occ |
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Tl1 0 0 .2862 .701 |
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Hg1 0 0 .2862 .234 |
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Ba1 0 0 .1300 .30 |
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Sr1 0 0 .1300 .70 |
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Ba2 0 0 0 .40 |
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Sr2 0 0 0 .60 |
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Fe1 0 0 .4360 |
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O1 0 0 .5 |
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O2 0 0 .354 |
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O3 .11 0 .221 .219 |
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O4 0 .5 .4277 |
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|
| Download AMC data (View Text File)
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BaMnO39 |
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Boullay P, Hervieu M, Labbe P, Raveau B |
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Materials Research Bulletin 32 (1997) 35-42 |
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Single crystal and HREM study of the "Bi-Sr" stabilized BaMnO39 R polytype |
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_cod_database_code 1001718 |
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_database_code_amcsd 0014378 |
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5.663 5.663 20.95499 90 90 120 R-3m |
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atom x y z |
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Ba1 0 0 0 |
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Ba2 0 0 .21859 |
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Mn1 0 0 .5 |
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Mn2 0 0 .38145 |
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O1 .1489 .8511 .5584 |
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O2 .5 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
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