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dinosaurwu(½ð±Ò+40): 2011-04-19 08:13:38
wsht212(½ð±Ò+2): лл 2011-04-19 08:35:59
data_66759-ICSD
#?2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                66759
_audit_creation_date               1995/10/17
_chemical_name_systematic          'Cobalt Diiron(III) Oxide'
_chemical_formula_structural       '(Co Fe2) O4'
_chemical_formula_sum              'Co1 Fe2 O4'
_publ_section_title
;
A study on the S-block structure in hexagonal ferrites
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Yoop Hakoechi (Journal of the Korean Ceramic Society)'
1994 31 62 68 YPHJAP
_publ_author_name                  'Shin, H.-S.;Lee, J.-H.;Kwon, S.-J.'
_cell_length_a                     5.9366
_cell_length_b                     5.9366
_cell_length_c                     14.543
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  120.
_cell_volume                       443.87
_cell_formula_units_Z              6
_symmetry_space_group_name_H-M     'R -3 m H'
_symmetry_Int_Tables_number        166
_refine_ls_R_factor_all            .017
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1        'x-y, -y, -z'
  2        '-x, -x+y, -z'
  3        'y, x, -z'
  4        'x-y, x, -z'
  5        'y, -x+y, -z'
  6        '-x, -y, -z'
  7        '-x+y, y, z'
  8        'x, x-y, z'
  9        '-y, -x, z'
10        '-x+y, -x, z'
11        '-y, x-y, z'
12        'x, y, z'
13        'x-y+.6666, -y+.3333, -z+.3333'
14        'x-y+.3333, -y+.6666, -z+.6666'
15        '-x+.6666, -x+y+.3333, -z+.3333'
16        '-x+.3333, -x+y+.6666, -z+.6666'
17        'y+.6666, x+.3333, -z+.3333'
18        'y+.3333, x+.6666, -z+.6666'
19        'x-y+.6666, x+.3333, -z+.3333'
20        'x-y+.3333, x+.6666, -z+.6666'
21        'y+.6666, -x+y+.3333, -z+.3333'
22        'y+.3333, -x+y+.6666, -z+.6666'
23        '-x+.6666, -y+.3333, -z+.3333'
24        '-x+.3333, -y+.6666, -z+.6666'
25        '-x+y+.6666, y+.3333, z+.3333'
26        '-x+y+.3333, y+.6666, z+.6666'
27        'x+.6666, x-y+.3333, z+.3333'
28        'x+.3333, x-y+.6666, z+.6666'
29        '-y+.6666, -x+.3333, z+.3333'
30        '-y+.3333, -x+.6666, z+.6666'
31        '-x+y+.6666, -x+.3333, z+.3333'
32        '-x+y+.3333, -x+.6666, z+.6666'
33        '-y+.6666, x-y+.3333, z+.3333'
34        '-y+.3333, x-y+.6666, z+.6666'
35        'x+.6666, y+.3333, z+.3333'
36        'x+.3333, y+.6666, z+.6666'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Co2+        2
Fe3+        3
O2-        -2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_B_iso_or_equiv
Co1 Co2+ 6 c 0 0 0.125 0.3333 0 0.69
Fe1 Fe3+ 6 c 0 0 0.125 0.6667 0 0.69
Co2 Co2+ 3 b 0 0 0.5 0.3333 0 0.47
Fe2 Fe3+ 3 b 0 0 0.5 0.6667 0 0.47
Co3 Co2+ 9 e 0.5 0 0 0.3333 0 0.6
Fe3 Fe3+ 9 e 0.5 0 0 0.6667 0 0.6
O1 O2- 6 c 0 0 0.2568 1. 0 0.95
O2 O2- 18 h 0.4911 -.4911 0.2521 1. 0 0.78

#End of data_66759-ICSD
2Â¥2011-04-18 20:13:23
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