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Al2O3 |
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Ollivier B, Retoux R, Lacorre P, Massiot D, Ferey G |
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Journal of Materials Chemistry 7 (1997) 1049-1056 |
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Crystal structure of kappa-alumina: an X-ray powder diffraction, TEM |
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and NMR study |
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Note: pyroxene structure |
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_cod_database_code 1000442 |
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_database_code_amcsd 0013079 |
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4.8437 8.3300 8.9547 90 90 90 Pna2_1 |
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atom x y z |
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Al1 .6787 .8416 0 |
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Al2 .1846 .3432 .7868 |
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Al3 .8115 .6489 .6972 |
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Al4 .6677 .4696 .9993 |
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O1 .3290 .8313 .8927 |
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O2 .0248 .4908 .6292 |
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O3 .4717 .6647 .6381 |
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O4 .5145 .6728 .1212 |
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O5 .8608 .3301 .8662 |
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O6 .3360 .4992 .9000 |
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| Download AMC data (View Text File)
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Ba0.92 Cu3 O8 Pb0.92 Sr1.15 Y1.15 |
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Rouillon T, Retoux R, Groult D, Michel C, Hervieu M, Provost J, Raveau B |
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Journal of Solid State Chemistry 78 (1989) 322-325 |
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PbBaYSrCu3O8: A New Member of the Intergrowth Family (ACuO3-x)m(A'O)n |
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_cod_database_code 1001403 |
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_database_code_amcsd 0013644 |
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3.842 3.842 27.66 90 90 90 I4/mmm |
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atom x y z occ |
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Pb1 0 0 .290 .46 |
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Ba1 0 0 .290 .46 |
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Y1 0 0 .437 .575 |
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Sr1 0 0 .437 .575 |
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Cu1 0 0 .122 |
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Cu2 0 0 0 |
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O1 0 .5 0 |
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O2 0 0 .2 |
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O3 0 .5 .118 |
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| Download AMC data (View Text File)
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Bi Cu2 O8 Pb Sr2 Y |
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Retoux R, Caignaert V, Provost J, Michel C, Hervieu M, Raveau B |
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Journal of Solid State Chemistry 79 (1989) 157-168 |
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Superconducting properties and Structural Study of |
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Bi2-xPbxSr2Ca1-xYxCu2O8 (0< x< 1) |
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_cod_database_code 1001409 |
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_database_code_amcsd 0013649 |
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5.385 5.424 30.316 90 90 90 Fmmm |
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atom x y z occ |
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Bi1 0 0 .2018 .5 |
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Pb1 0 0 .2018 .5 |
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Sr1 0 0 .6147 |
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Y1 0 0 .5 |
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Cu1 0 0 .0554 |
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O1 .25 .25 .049 |
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O2 0 0 .686 |
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O3 0 0 .133 |
|
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Cu6 Nd3 O17 Sr6 |
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Caignaert V, Retoux R, Hervieu M, Michel C, Raveau B |
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Journal of Solid State Chemistry 91 (1991) 41-46 |
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Sr6 Nd3 Cu6 O17: an intergrowth of the "123"-phase and rock salt-type |
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structure |
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_cod_database_code 1001697 |
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_database_code_amcsd 0013703 |
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3.7547 11.4882 20.0976 90 90 90 Immm |
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atom x y z occ |
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Nd1 0 0 0 |
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Nd2 0 .2989 0 .56 |
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Sr1 0 .2989 0 .44 |
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Nd3 0 0 .1962 .44 |
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Sr2 0 0 .1962 .56 |
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Sr3 0 .3231 .1772 |
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Cu1 0 0 .5881 |
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Cu2 0 .3521 .6010 |
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O1 0 .1610 .4154 |
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O2 0 .1352 .0979 |
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O3 0 0 .6849 |
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O4 0 .3495 .7013 |
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O5 0 .3678 .5 |
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O6 .3077 0 .5 .5 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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H8 N2 O8 P0.96 V2.04 |
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Ninclaus C, Retoux R, Riou D, Ferey G |
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Journal of Solid State Chemistry 122 (1996) 139-142 |
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Synthesis and structure determination of the disordered V(V)-P compound |
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(N H4)2 V(IV) O (V(V)2-x Px O7) |
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_cod_database_code 1000480 |
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_database_code_amcsd 0013881 |
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8.629 8.629 5.648 90 90 90 P4 |
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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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V1 .3694 .1308 .0077 .52 .010 .010 .017 -.002 .000 .005 |
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P1 .3694 .1308 .0077 .48 .010 .010 .017 -.002 .000 .005 |
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V2 .5 .5 0 .013 .013 .017 0 0 0 |
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V3 0 0 .0086 .013 .013 .019 0 0 0 |
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O1 0 0 .2928 .033 .033 .023 0 0 0 |
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O2 .5 .5 .2802 .031 .031 .021 0 0 0 |
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O3 .3698 .1302 .2857 .024 .024 .020 .004 .002 .001 |
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O4 .5 0 -.0922 .032 .082 .018 -.012 0 0 |
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O5 .4166 .2987 -.0991 .031 .012 .035 -.004 -.011 .000 |
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O6 .2018 .0830 -.0985 .014 .027 .031 -.007 .000 .004 |
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N1 .1700 .3308 .5292 .034 .038 .018 .018 .000 .000 |
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H1 .2388 .2704 .4528 |
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H2 .0858 .3445 .4376 |
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H3 .2135 .4234 .5606 |
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H4 .1420 .2849 .6658 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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La7 Mo7 O30 |
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Goutenoire F, Retoux R, Suard E, Lacorre P |
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Journal of Solid State Chemistry 142 (1999) 228-235 |
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Ab initio determination of the novel perovskite-related structure of |
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La7 Mo7 O30 from powder diffraction |
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_cod_database_code 1000500 |
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_database_code_amcsd 0013956 |
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17.0051 17.0051 6.8607 90 90 120 R-3 |
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atom x y z |
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La1 0 0 0 |
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Mo1 0 0 .5 |
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La2 .7803 -.00176 .3345 |
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Mo2 .1992 .0118 .1666 |
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O1 .2423 .0989 .3573 |
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O2 .2931 .0454 -.0006 |
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O3 .1719 .1153 .0404 |
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O4 .2060 -.0716 .3094 |
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O5 .0344 .1043 .3205 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
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La7 Mo7 O30 |
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Goutenoire F, Retoux R, Suard E, Lacorre P |
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Journal of Solid State Chemistry 142 (1999) 228-235 |
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Ab initio determination of the novel perovskite-related structure of |
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La7 Mo7 O30 from powder diffraction |
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_cod_database_code 1000501 |
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_database_code_amcsd 0013957 |
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17.00639 17.00639 6.8613 90 90 120 R-3 |
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atom x y z |
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La1 0 0 0 |
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Mo1 0 0 .5 |
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La2 .7800 -.0167 .3342 |
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Mo2 .2001 .0131 .1660 |
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O1 .248 .089 .343 |
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O2 .293 .039 -.003 |
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O3 .182 .124 .014 |
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O4 .204 -.075 .319 |
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O5 .036 .104 .319 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Cu2 Nd O5.76 Sr2 |
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Caignaert V, Retoux R, Michel C, Hervieu M, Raveau B |
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Physica C 167 (1990) 483-490 |
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Neutron diffraction study of the layered cuprate Sr2-xNd1+xCu2O6-y |
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_cod_database_code 1001459 |
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_database_code_amcsd 0015019 |
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3.7701 11.4381 20.0938 90 90 90 Immm |
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atom x y z occ |
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Nd1 0 0 0 |
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Sr1 0 .3018 0 .63 |
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Nd2 0 .3018 0 .37 |
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Sr2 0 0 .1954 .37 |
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Nd3 0 0 .1954 .63 |
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Sr3 0 .3248 .1770 |
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Cu1 0 0 .5879 |
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Cu2 0 .3517 .6005 |
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O1 0 .1601 .4156 |
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O2 0 .1362 .0969 |
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O3 .5 0 .4227 .29 |
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O4 0 0 .6860 |
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O5 0 .3485 .7008 |
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O6 0 .3690 .5 |
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O7 .284 0 .5 .35 |
|
|
| 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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