#------------------------------------------------------------------------------
#$Date: 2016-10-21 07:44:29 +0300 (Fri, 21 Oct 2016) $
#$Revision: 187472 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/43/1544335.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_1544335
loop_
_publ_author_name
'Marin, S.J.'
'O'Keeffe, M.'
'Partin, D.E.'
_publ_section_title
;
 Structures and crystal chemistry of ordered spinels: LiFe5O8, LiZnNbO4,
 and Zn2TiO4
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              413
_journal_page_last               419
_journal_volume                  113
_journal_year                    1994
_chemical_formula_sum            'Fe5 Li O8'
_chemical_name_common            'LiFe5O8 ordered spinel'
_space_group_IT_number           212
_space_group_name_H-M_alt        'P 43 3 2'
_symmetry_space_group_name_Hall  'P 4acd 2ab 3'
_symmetry_space_group_name_H-M   'P 43 3 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.3195(1)
_cell_length_b                   8.3195(1)
_cell_length_c                   8.3195(1)
_cell_volume                     575.827(12)
_cod_data_source_file            LiFe5O8.cif
_cod_data_source_block           LiFe5O8
_cod_original_formula_sum        'Li Fe5 O8'
_cod_database_code               1544335
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'z, x, y'
'z+1/2, -x+1/2, -y'
'-z+1/2, -x, y+1/2'
'-z, x+1/2, -y+1/2'
'y, z, x'
'-y, z+1/2, -x+1/2'
'y+1/2, -z+1/2, -x'
'-y+1/2, -z, x+1/2'
'y+1/4, x+3/4, -z+3/4'
'-y+1/4, -x+1/4, -z+1/4'
'y+3/4, -x+3/4, z+1/4'
'-y+3/4, x+1/4, z+3/4'
'x+1/4, z+3/4, -y+3/4'
'-x+3/4, z+1/4, y+3/4'
'-x+1/4, -z+1/4, -y+1/4'
'x+3/4, -z+3/4, y+1/4'
'z+1/4, y+3/4, -x+3/4'
'z+3/4, -y+3/4, x+1/4'
'-z+3/4, y+1/4, x+3/4'
'-z+1/4, -y+1/4, -x+1/4'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
Li 1.0 0.625000 0.625000 0.625000 Uiso 0.023000 Li
Fe1 1.0 0.99810(10) 0.99810(10) 0.99810(10) Uiso 0.003300 Fe
Fe2 1.0 0.125000 0.36740(10) 0.88260(10) Uiso 0.003100 Fe
O1 1.0 0.38490(10) 0.38490(10) 0.38490(10) Uiso 0.003900 O
O2 1.0 0.11690(10) 0.12720(10) 0.38350(10) Uiso 0.004300 O
