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Ba Ni O7 P2 |
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Riou D, Leligny H, Pham C, Labbe P, Raveau B |
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Acta Crystallographica B47 (1991) 608-617 |
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BaNiP2O7, a triclinic diphosphate with a modulated structure ofthe |
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displacive type |
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_cod_database_code 1001511 |
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_database_code_amcsd 0010491 |
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5.317 7.580 7.116 101.26 84.48 89.49 P-1 |
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atom x y z occ |
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Ba1 .1841 .0667 .21715 .5 |
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Ba2 .2294 .07410 .23475 .5 |
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Ni1 .1798 .5911 .4069 .5 |
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Ni2 .1922 .6153 .3316 .5 |
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P1 .7036 .3940 .2194 .5 |
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P2 .7072 .4218 .1611 .5 |
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P3 .6974 .7896 .2736 |
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O1 .9250 .8013 .3934 |
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O2 .446 .7959 .3970 |
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O3 .710 .9337 .1521 |
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O4 .729 .6008 .1276 |
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O5 .908 .410 .303 .5 |
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O6 .886 .411 .381 .5 |
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O7 .772 .298 -.033 .5 |
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O8 .794 .242 .055 .5 |
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O9 .5630 .6017 .722 |
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Bi1.916 Cu O5.482 Sr1.84 |
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Leligny H, Durcok S, Labbe P, Ledesert M, Raveau B |
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Acta Crystallographica B48 (1992) 407-418 |
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X-ray investigation of the incommensurate modulated structure of |
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Bi2.08Sr1.84CuO6-d |
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_cod_database_code 1001691 |
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_database_code_amcsd 0009858 |
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5.3791 5.3811 24.58899 90 89.93 90 A2/a |
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atom x y z occ |
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Bi1 -.0006 .2754 .0654 .9579 |
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Sr1 .5003 .2473 .1785 .920 |
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Cu1 0 .25 .25 |
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O1 .2526 .0004 .2517 |
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O2 .0147 .2003 .1499 .741 |
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O3 .521 .3404 .0698 |
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| Download AMC data (View Text File)
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La0.988 Mo8.024 O14 |
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Leligny H, Labbe P, Ledesert M, Hervieu M, Raveau B, McCarroll W |
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Acta Crystallographica B49 (1993) 444-454 |
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The modulated structure of LaMo8O14 |
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_cod_database_code 1001543 |
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_database_code_amcsd 0009872 |
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11.129 10.000 9.218 90 90 90 C2cb |
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atom x y z occ |
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La1 .0198 0 0 .8425 |
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La2 -.0216 0 0 .1450 |
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Mo1 .8769 .0778 .3795 |
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Mo2 .1218 .0828 .3768 |
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Mo3 0 .8402 .3796 |
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Mo4 .2307 .8371 .3759 .7876 |
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Mo5 .7741 .8392 .3835 .2244 |
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O1 .2623 0 .5 |
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O2 -.0032 .8410 .7638 |
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O3 .8730 -.0786 .2432 |
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O4 .1158 -.0761 .2353 |
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O5 .7443 .1718 .2567 |
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O6 .1149 .2609 .4893 |
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O7 .8736 .2507 .4906 |
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O8 .7452 0 .5 |
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| Download AMC data (View Text File)
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Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 |
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Labbe P, Ledesert M, Maignan A, Martin C, Leligny H, Raveau B |
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Acta Crystallographica B51 (1995) 18-22 |
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Single crystal study of the 'BaSr' 1212 superconductor Tl1+xBaSrCa1-xCu2O7-d |
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_cod_database_code 1001657 |
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_database_code_amcsd 0009884 |
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3.8271 3.8271 12.385 90 90 90 P4/mmm |
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atom x y z occ |
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Tl1 .0859 0 0 .25 |
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Ca1 .5 .5 .5 .78 |
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Tl2 .5 .5 .5 .22 |
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Ba1 .5 .5 .21450 .52 |
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Sr1 .5 .5 .21450 .48 |
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Cu1 0 0 .3685 |
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O1 .5 0 .3755 |
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O2 0 0 .1629 |
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O3 .5 .5 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 |
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Labbe P, Ledesert M, Maignan A, Martin C, Leligny H, Raveau B |
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Acta Crystallographica B51 (1995) 18-22 |
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Single crystal study of the 'BaSr' 1212 superconductor Tl1+xBaSrCa1-xCu2O7-d |
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_cod_database_code 1001658 |
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_database_code_amcsd 0009885 |
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3.8356 3.8356 12.390 90 90 90 P4/mmm |
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atom x y z occ |
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Tl1 .0949 0 0 .25 |
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Ca1 .5 .5 .5 .78 |
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Tl2 .5 .5 .5 .22 |
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Ba1 .5 .5 .21615 .52 |
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Sr1 .5 .5 .21615 .48 |
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Cu1 0 0 .3698 |
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O1 .5 0 .3744 |
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O2 0 0 .1621 |
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O3 .5 .5 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 |
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Labbe P, Ledesert M, Maignan A, Martin C, Leligny H, Raveau B |
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Acta Crystallographica B51 (1995) 18-22 |
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Single crystal study of the 'BaSr' 1212 superconductor Tl1+xBaSrCa1-xCu2O7-d |
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_cod_database_code 1001659 |
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_database_code_amcsd 0009886 |
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3.8234 3.8234 12.384 90 90 90 P4/mmm |
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atom x y z occ |
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Tl1 .0862 0 0 .25 |
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Ca1 .5 .5 .5 .78 |
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Tl2 .5 .5 .5 .22 |
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Ba1 .5 .5 .2128 .52 |
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Sr1 .5 .5 .2128 .48 |
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Cu1 0 0 .3675 |
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O1 .5 0 .3749 |
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O2 0 0 .164 |
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O3 .5 .5 0 |
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| Download AMC data (View Text File)
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Bi2 Fe2 O11 Sr2.591 |
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Perez O, Leligny H, Grebille D, Labbe P, Groult D, Raveau B |
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Journal of Physics: Condensed Matter 7 (1995) 10003-10014 |
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X-ray investigation of the incommensurate modulated structure of |
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Bi2+xSr3-xFe2O9+d |
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_cod_database_code 1001709 |
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_database_code_amcsd 0013280 |
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5.488 5.475 31.50899 90 90 90 Fmmm |
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atom x y z occ |
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Bi1 .0221 0 .2028 .5 |
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Sr1 .5 0 .1176 .7955 |
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Sr2 .5 0 0 |
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Fe1 0 0 .0607 |
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O1 .25 .25 .0668 |
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O2 0 0 .1389 |
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O3 0 0 0 |
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O4 .6917 0 .1973 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Na3.04 Nb7 O29 P4 |
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Benabbas A, Leligny H, Borel M, Grandin A, Leclaire A, Raveau B |
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Journal of Solid State Chemistry 101 (1992) 137-144 |
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Na4-xNb7P4O29: A Phosphate Niobium Bronze Intergrowth of the |
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Members M=3 snd M=4 of the MPTB's Series Nax(NbO3)2m(PO2)4 |
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_cod_database_code 1001538 |
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_database_code_amcsd 0013753 |
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32.850 5.3484 13.252 90 97.79 90 C2/c |
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atom x y z occ |
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Nb1 0 0 0 |
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Nb2 .3183 .5011 .02287 |
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Nb3 .22724 .4785 .32190 |
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Nb4 .04595 .4973 .17911 |
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P1 .14822 .487 .1205 |
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P2 .42169 .503 .1525 |
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Na1 .1318 .507 .3634 |
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Na2 -.0976 .009 -.0995 .52 |
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O1 -.0468 -.025 .0780 |
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O2 .0270 -.286 .0731 |
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O3 .0299 .207 .1076 |
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O4 .3791 .459 .0956 |
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O5 .3066 .730 .1235 |
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O6 .3024 .227 .0847 |
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O7 .2710 .564 -.0695 |
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O8 .3401 .278 -.0883 |
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O9 .3482 .821 -.0378 |
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O10 .1737 .562 .2216 |
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O11 .2478 .291 .2264 |
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O12 0 .515 .25 |
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O13 .1029 .480 .1375 |
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O14 .0722 .798 .2645 |
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O15 .0755 .264 .3037 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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La5Mo4O16 |
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Ledesert M, Labbe P, McCarroll W, Leligny H, Raveau B |
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Journal of Solid State Chemistry 105 (1993) 143-150 |
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La5Mo4O16: a new structural type related to perovskite |
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with extremely short Mo-Mo bonds |
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_cod_database_code 1001567 |
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_database_code_amcsd 0013781 |
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7.9638 7.9958 10.3345 90 95.067 90 C2/m |
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atom x y z occ |
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La1 .27297 .24497 .21054 |
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La2 0 0 .5 |
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Mo1 0 0 0 |
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Mo2 .5 0 0 |
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Mo3 .56078 0 .39747 |
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O1 .0375 .2630 .3585 |
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O2 .2863 .5 .3263 |
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O3 .3087 0 .4314 |
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O4 .4601 0 .1889 |
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O5 .0729 0 .1740 |
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O6 .046 .25 0 .5 |
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O7 .246 .967 .9574 .5 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
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Ba0.72 Ca1.84 Cu3 O9 Sr1.28 Tl1.16 |
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Martin C, Maignan A, Huve M, Labbe P, Ledesert M, Leligny H, Raveau B |
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Physica C 217 (1993) 106-112 |
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A Sr-rich 1223 cuprate, Tl1+xBa2/3Sr4/3Ca2-xCu3O9 with a Tc of 110 K. |
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A single-crystal study. |
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_cod_database_code 1001576 |
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_database_code_amcsd 0015060 |
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3.8274 3.8274 15.524 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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Tl1 .0872 0 0 .25 .046 .024 .081 0 0 0 |
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Cu1 0 0 .5 .0067 .0067 .009 0 0 0 |
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Cu2 0 0 .2902 .0078 .0078 .011 0 0 0 |
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Ba1 .5 .5 .1690 .36 .0070 .0070 .0097 0 0 0 |
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Sr1 .5 .5 .1690 .64 .0070 .0070 .0097 0 0 0 |
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Ca1 .5 .5 .3931 .92 .0065 .0065 .010 0 0 0 |
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Tl2 .5 .5 .3931 .08 .0065 .0065 .010 0 0 0 |
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O1 .5 0 .5 .004 .026 .021 0 0 0 |
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O2 .5 0 .2964 .006 .009 .020 0 0 0 |
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O3 0 0 .131 .021 .021 .012 0 0 0 |
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O4 .5 .5 0 .030 .030 .004 0 0 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
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