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Cd0.33 Cu2.11 O7 Pb0.56 Sr2.09 Y0.91 |
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Ledesert M, Labbe P, Groult D, Daniel P, Hervieu M, Raveau B |
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European Journal of Solid State and Inorganic Chemistry 30 (1993) 357-367 |
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The crystal structure of the cadmium derivative 1212 lead cuprate (Pb, |
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Cd)Sr2YCu2O7 |
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_cod_database_code 1001518 |
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_database_code_amcsd 0012568 |
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3.8108 3.8108 11.927 90 90 90 P4/mmm |
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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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Pb1 0 0 0 .56 .0405 .0405 .0073 0 0 0 |
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Cd1 0 0 0 .26 .0405 .0405 .0073 0 0 0 |
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Y1 .5 .5 .5 .91 .0061 .0061 .0115 0 0 0 |
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Sr1 .5 .5 .5 .09 .0061 .0061 .0115 0 0 0 |
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Sr2 .5 .5 .2091 .0125 .0125 .0139 0 0 0 |
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Cu1 0 0 .3614 .0046 .0046 .0128 0 0 0 |
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O1 0 .5 .3782 .012 .003 .024 0 0 0 |
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O2 0 0 .168 .017 .017 .025 0 0 0 |
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O3 .36 .5 0 .25 .08 .03 .03 0 0 0 |
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Cd2 0 .190 0 .0175 |
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Cu2 0 .190 0 .0275 |
|
|
| Download AMC data (View Text File)
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|
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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 |
|
|
| Download AMC data (View Text File)
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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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
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Al F3 |
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Daniel P, Bulou A, Rousseau M, Nouet J, Fourquet J, Leblanc M, Burriel R |
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Journal of Physics: Condensed Matter 2 (1990) 5663-5677 |
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A study of the structural phase transitions in Al F3: X-ray powder |
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diffraction, DSC and Raman scattering investigations of the lattice |
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dynamics and phonon spectrum |
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_cod_database_code 1000467 |
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_database_code_amcsd 0013259 |
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4.9305 4.9305 12.4462 90 90 120 R-3c |
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atom x y z |
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Al1 0 0 0 |
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F1 .4275 0 .25 |
|
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| Download AMC data (View Text File)
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|
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Fe2 O9 Pb1.01 Sr4 |
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Caignaert V, Daniel P, Nguyen N, Ducouret A, Groult D, Raveau B |
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Journal of Solid State Chemistry 112 (1994) 126-131 |
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Structure refinement of the 0201-1201 intergrowth-type ferrite PbSr4Fe2O9: |
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powder neutron diffraction and Mossbauer spectroscopy studies |
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_cod_database_code 1001606 |
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_database_code_amcsd 0013824 |
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3.84845 3.84845 30.68379 90 90 90 I4/mmm |
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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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Pb1 0 0 0 .62 |
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Pb2 .140 0 0 .0975 |
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Sr1 .5 .5 .0855 |
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Sr2 .5 .5 .2050 |
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Fe1 0 0 .1512 |
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O1 .141 0 .5 .25 |
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O2 0 0 .0642 .0348 .0348 .0501 0 0 0 |
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O3 .5 0 .1419 |
|
O4 0 0 .2145 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fe2 Hg0.4325 O9 Pb0.4325 Sr4 |
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Nguyen N, Daniel P, Groult D, Raveau B, Greneche J |
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Materials Chemistry and Physics 45 (1996) 33-38 |
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New mixed valence iron oxides (Pb, A) Sr4 Fe2 O9-d (A = Cd, Hg) with |
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the 0201 - 1201 intergrowth type structure |
|
_cod_database_code 1001752 |
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_database_code_amcsd 0014208 |
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3.8056 3.8056 30.48199 90 90 90 I4/mmm |
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atom x y z occ |
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Pb1 0 0 0 .4325 |
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Hg1 0 0 0 .4325 |
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Sr1 .5 .5 .0837 |
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Sr2 .5 .5 .2062 |
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Fe1 0 0 .1507 |
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O1 .29 .5 0 .25 |
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O2 0 0 .069 |
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O3 .5 0 .1483 |
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O4 0 0 .212 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cd0.395 Fe2 O9 Pb0.395 Sr4 |
| |
Nguyen N, Daniel P, Groult D, Raveau B, Greneche J |
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Materials Chemistry and Physics 45 (1996) 33-38 |
|
New mixed valence iron oxides (Pb, A) Sr4 Fe2 O9-d (A = Cd, Hg) with |
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the 0201 - 1201 intergrowth type structure |
|
_cod_database_code 1001753 |
|
_database_code_amcsd 0014209 |
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3.8084 3.8084 30.45299 90 90 90 I4/mmm |
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atom x y z occ |
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Pb1 0 0 0 .215 |
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Cd1 0 0 0 .215 |
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Pb2 .102 0 0 .045 |
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Cd2 .102 0 0 .045 |
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Sr1 .5 .5 .0826 |
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Sr2 .5 .5 .2052 |
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Fe1 0 0 .1484 |
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O1 .249 .5 0 .25 |
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O2 0 0 .0687 |
|
O3 .5 0 .1447 |
|
O4 0 0 .212 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
F3 V |
| |
Daniel P, Bulou A, Leblanc M, Rousseau M, Nouet J |
| |
Materials Research Bulletin 25 (1990) 413-420 |
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Structural and vibrational study of V F3 |
|
_cod_database_code 1000468 |
|
_database_code_amcsd 0014345 |
|
5.168 5.168 13.438 90 90 120 R-3c |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
V1 0 0 0 .0051 .0051 .0060 .00255 0 0 |
|
F1 .4001 0 .25 .0122 .0106 .0132 .0053 -.0027 -.0054 |
|
|
| 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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