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Ba5 Cl Cu4 F17 |
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Fompeyrine J, Nazabal V, Darriet J, Courbion G |
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European Journal of Solid State and Inorganic Chemistry 32 (1995) 977-995 |
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Ba5 Cu4 F17 Cl: a new copper chlorofluoride with chains structure. |
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Structural and magnetic properties |
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_cod_database_code 1000397 |
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_database_code_amcsd 0012600 |
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10.731 10.731 12.803 90 90 120 P-62m |
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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) |
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Ba1 .7571 0 0 .0084 .0087 .0115 .0044 0 0 |
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Ba2 1/3 2/3 .1623 .0098 .0098 .0076 .0049 0 0 |
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Ba3 .2690 0 .6928 .0104 .0091 .0110 .0046 -.0017 0 |
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Ba4 1/3 2/3 .5 .0109 .0109 .0064 .0054 0 0 |
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Cu1 .4238 0 0 .0131 .0238 .0058 .0120 0 0 |
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Cu2 .7582 0 .5 .0158 .0090 .0071 .0045 0 0 |
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Cu3 .5969 0 .2648 .0088 .0079 .0088 .0040 .0007 0 |
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Cl1 0 0 .5 .0129 .0129 .0421 .0064 0 0 |
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Cl2 0 0 .8345 .0169 .0169 .0183 .0084 0 0 |
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F1 .5726 .1449 .3358 .0202 .0130 .0162 .0083 .0003 -.0017 |
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F2 .7589 .1460 .1884 .0119 .0130 .0132 .0057 .0003 .0018 |
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F3 .6322 .7959 .5 .0118 .0107 .0184 .0015 0 0 |
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F4 .4322 0 .1490 .0207 .0321 .0088 .0160 .0036 0 |
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F5 .7708 0 .3557 .0208 .0210 .0059 .0105 -.0012 0 |
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F6 .5309 .3686 0 .0135 .0150 .0119 .0115 0 0 |
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F7 .2459 0 0 .0160 .0196 .0221 .0098 0 0 |
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Ba2 Cl F7 Ni2 |
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Fompeyrine J, Darriet J, Maguer J, Greneche J, Courbion G, Roisnel T, Rodriguez-Carvajal J |
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Journal of Solid State Chemistry 131 (1997) 198-214 |
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Magnetic properties and neutron diffraction study of the chlorofluoride |
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series Ba2 M M' F7 Cl (M, M' = Mn, Fe, Co, Ni, Zn) |
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_cod_database_code 1000447 |
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_database_code_amcsd 0013926 |
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7.602 5.766 8.788 90 106.72 90 P2_1/m |
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atom x y z |
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Ba1 .3111 .25 .5819 |
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Ba2 .3073 .25 .0687 |
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Ni1 .8245 .25 .7182 |
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Ni2 .8152 .25 .1795 |
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Cl1 .8832 .25 .4710 |
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F1 .6323 .0038 .1555 |
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F2 .0023 -.0035 .8269 |
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F3 .6340 .0066 .6561 |
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F4 .756 .25 .9363 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Ba2 Cl F7 Mn Ni |
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Fompeyrine J, Darriet J, Maguer J, Greneche J, Courbion G, Roisnel T, Rodriguez-Carvajal J |
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Journal of Solid State Chemistry 131 (1997) 198-214 |
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Magnetic properties and neutron diffraction study of the chlorofluoride |
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series Ba2 M M' F7 Cl (M, M' = Mn, Fe, Co, Ni, Zn) |
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_cod_database_code 1000448 |
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_database_code_amcsd 0013927 |
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7.746 5.820 8.898 90 106.63 90 P2_1/m |
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atom x y z occ |
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Ba1 .323 .25 .576 |
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Ba2 .323 .25 .081 |
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Mn1 .830 .25 .723 .5 |
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Ni1 .830 .25 .723 .5 |
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Mn2 .799 .25 .164 .5 |
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Ni2 .799 .25 .164 .5 |
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Cl1 .881 .25 .463 |
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F1 .634 .004 .161 |
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F2 -.027 -.032 .823 |
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F3 .631 .009 .656 |
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F4 .747 .25 .938 |
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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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Ba2 Cl Co F7 Fe |
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Fompeyrine J, Darriet J, Maguer J, Greneche J, Courbion G, Roisnel T, Rodriguez-Carvajal J |
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Journal of Solid State Chemistry 131 (1997) 198-214 |
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Magnetic properties and neutron diffraction study of the chlorofluoride |
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series Ba2 M M' F7 Cl (M, M' = Mn, Fe, Co, Ni, Zn) |
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_cod_database_code 1000449 |
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_database_code_amcsd 0013928 |
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7.749 5.771 8.950 90 106.80 90 P2_1/m |
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atom x y z occ |
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Ba1 .322 .25 .586 |
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Ba2 .323 .25 .075 |
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Fe1 .831 .25 .709 .5 |
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Co1 .831 .25 .709 .5 |
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Fe2 .819 .25 .172 .5 |
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Co2 .819 .25 .172 .5 |
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Cl1 .876 .25 .472 |
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F1 .635 .008 .152 |
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F2 .021 .043 .836 |
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F3 .637 .002 .656 |
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F4 .756 .25 .938 |
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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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