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Ba0.85Ca2.15In6O12 |
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Baldinozzi G, Goutenoire F, Hervieu M, Suard E, Grebille D |
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Acta Crystallographica B52 (1996) 780-789 |
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Incommensurate modulated disorder in Ba0.85Ca2.15In6O12 |
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_cod_database_code 1000428 |
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_database_code_amcsd 0009895 |
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9.8880 9.8880 3.2170 90 90 120 P6_3/m |
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atom x y z occ |
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Ba1 0 0 .160 .215 |
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Ca1 1/3 2/3 .25 |
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In1 .3472 -.0044 .25 |
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O1 .1935 .3048 .25 |
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O2 .5316 .3985 .25 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Ba0.85Ca2.15In6O12 |
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Baldinozzi G, Goutenoire F, Hervieu M, Suard E, Grebille D |
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Acta Crystallographica B52 (1996) 780-789 |
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Incommensurate modulated disorder in Ba0.85Ca2.15In6O12 |
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_cod_database_code 1000429 |
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_database_code_amcsd 0009896 |
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9.8880 9.8880 3.2170 90 90 120 P3 |
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atom x y z occ |
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Ba1 0 0 .705 .35 |
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Ba2 0 0 .222 .17 |
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Ba3 0 0 -.064 .31 |
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Ca1 0 0 -.064 .10 |
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Ca2 1/3 2/3 .267 |
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Ca3 2/3 1/3 .745 |
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In1 .3492 -.0005 .25 |
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In2 .6545 .0068 .747 |
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O1 .1910 .3040 .25 |
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O2 .8052 .6976 .759 |
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O3 .5293 .3970 .248 |
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O4 .4669 .6003 .754 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Ba3 Cu2 Hg O10 Sr Tl2 |
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Goutenoire F, Hervieu M, Martin C, Maignan A, Michel C, Letouze F, Raveau B |
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Chemistry of Materials 6 (1994) 1654-1658 |
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Cationic substitutions in the "2201-1201" intergrowth Hg Tl2 Ba4 Cu2 O10 |
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_cod_database_code 1000369 |
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_database_code_amcsd 0012201 |
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3.8289 3.8289 41.75699 90 90 90 I4/mmm |
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atom x y z occ |
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Hg1 0 0 0 |
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Tl1 0 0 .2237 |
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Cu1 0 0 .1135 |
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Ba1 .5 .5 .0664 .75 |
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Sr1 .5 .5 .0664 .25 |
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Ba2 .5 .5 .1596 .75 |
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Sr2 .5 .5 .1596 .25 |
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O1 0 0 .050 |
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O2 .5 0 .114 |
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O3 0 0 .174 |
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O4 .5 .5 .228 |
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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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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