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Ba6 Ni25 S27 |
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Gelabert M, Ho M, Malik A, DiSalvo F, Deniard P, Brec R |
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Chemistry - A European Journal 3 (1997) 1884-1889 |
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Structure and properties of Ba6 Ni25 S27 |
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_cod_database_code 1005034 |
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_database_code_amcsd 0012194 |
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10.0565 10.0565 10.0565 90 90 90 Pm3m |
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atom x y z |
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Ba1 .5 .5 .1945 |
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Ni1 0 0 0 |
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Ni2 .1360 .3562 .1360 |
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S1 .5 .5 .5 |
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S2 0 .2377 0 |
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S3 .2822 .2822 .2822 |
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S4 0 .5 .2416 |
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Ba Co S2 |
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Gelabert M, Brese N, DiSalvo F, Jobic S, Deniard P, Brec R |
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Journal of Solid State Chemistry 127 (1996) 211-221 |
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Polymorphism and superstructure in Ba Co S2-d |
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_cod_database_code 1005029 |
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_database_code_amcsd 0013910 |
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4.568 4.568 8.942 90 90 90 *P4/nmm |
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.25 -.25 0 |
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atom x y z |
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Ba1 .25 .25 .6975 |
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Co1 .25 .25 .0933 |
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S1 .25 .25 .3488 |
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S2 .75 .25 0 |
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Ba Co S1.84 |
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Gelabert M, Brese N, DiSalvo F, Jobic S, Deniard P, Brec R |
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Journal of Solid State Chemistry 127 (1996) 211-221 |
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Polymorphism and superstructure in Ba Co S2-d |
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_cod_database_code 1005030 |
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_database_code_amcsd 0013911 |
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6.4390 6.4909 8.9379 90 90 90 Cmma |
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atom x y z occ |
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Ba1 0 .25 .1973 |
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Co1 0 .25 .5895 |
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S1 0 .25 .8433 |
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S2 .25 .5 .5 .84 |
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F5 Fe H8 N2 |
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Croguennec L, Deniard P, Brec R, Couzi M, Sourisseau C, Fourquet J, Calage Y |
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Journal of Solid State Chemistry 131 (1997) 189-197 |
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Structural and spectroscopic evidence for hydrogen bonding induced (N |
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H4)(+) cation ordering in beta-(N H4)2 Fe F5 at low temperature |
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_cod_database_code 1000445 |
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_database_code_amcsd 0013924 |
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6.3385 7.6191 11.0298 90 90 90 Pnma |
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atom x y z |
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N1 .428 .25 .1958 |
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N2 .510 .25 .8584 |
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Fe1 0 0 0 |
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F1 .0880 .25 .0082 |
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F2 .2271 .0521 .4367 |
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F3 .1051 .5265 .1595 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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F5 Fe H8 N2 |
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Croguennec L, Deniard P, Brec R, Couzi M, Sourisseau C, Fourquet J, Calage Y |
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Journal of Solid State Chemistry 131 (1997) 189-197 |
|
Structural and spectroscopic evidence for hydrogen bonding induced (N |
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H4)(+) cation ordering in beta-(N H4)2 Fe F5 at low temperature |
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_cod_database_code 1000446 |
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_database_code_amcsd 0013925 |
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6.3269 7.6076 10.9802 90 90 90 Pnma |
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atom x y z |
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N1 .442 .25 .198 |
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N2 .512 .25 .854 |
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Fe1 0 0 0 |
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F1 .081 .25 -.002 |
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F2 .225 .045 .442 |
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F3 .102 .546 .163 |
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H1 .426 .3573 .872 |
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H2 .64 .25 .90 |
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H3 .55 .25 .766 |
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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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