#------------------------------------------------------------------------------
#$Date: 2016-01-03 14:31:16 +0200 (Sun, 03 Jan 2016) $
#$Revision: 173432 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/45/4344522.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4344522
loop_
_publ_author_name
'Wang, X.'
'Vander Griend, A.'
'Stern, C.L.'
'Poeppelmeier, K.R.'
_publ_section_title
;
 Site-specific vanadates Co4 Fe3.33 (V O4)6 and Mn3 Fe4 (V O4)6
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              136
_journal_page_last               140
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'Co4 Fe3.33 O24 V6'
_chemical_name_systematic        'Co4 Fe3.33 (V O4)6'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.965
_cell_length_b                   10.211
_cell_length_c                   17.188
_cell_volume                     871.391
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Wang_INOCAJ_2000_216.cif
_cod_data_source_block           Co4Fe3.33O24V6
_cod_original_cell_volume        871.3907
_cod_database_code               4344522
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O3 O-2 -0.5869 0.505 0.0747 1 0.0
O1 O-2 -0.5847 0.3741 0.2135 1 0.0
O5 O-2 -0.4335 0.25 0.0058 1 0.0
Co1 Co+2 -0.2516 0.42329 0.02769 0.17 0.0
Co2 Co+2 0.4039 0.75 0.25064 0.662 0.0
O7 O-2 0.1486 0.75 0.3476 1 0.0
O2 O-2 0.1524 0.6147 0.2041 1 0.0
Fe1 Fe+3 -0.2516 0.42329 0.02769 0.83 0.0
V2 V+5 0.2212 0.47156 0.15677 1 0.0
V1 V+5 -0.2791 0.75 0.05669 1 0.0
O4 O-2 -0.0695 0.386 0.1275 1 0.0
Co3 Co+2 -0.2545 0.25 0.19691 1 0.0
O6 O-2 -0.0837 0.6157 0.0352 1 0.0
