#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/19/1541958.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_1541958
loop_
_publ_author_name
'Braun, P.B.'
_publ_section_title
;
 A superstructure in spinels
;
_journal_name_full               'Nature (London)'
_journal_page_first              1123
_journal_page_last               1123
_journal_volume                  170
_journal_year                    1952
_chemical_formula_sum            'Fe5 Li O8'
_chemical_name_systematic        'Li Fe5 O8'
_space_group_IT_number           212
_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                   8.33
_cell_length_b                   8.33
_cell_length_c                   8.33
_cell_volume                     578.010
_citation_journal_id_ASTM        NATUAS
_cod_data_source_file            Braun_NATUAS_1952_1130.cif
_cod_data_source_block           Fe5Li1O8
_cod_original_cell_volume        578.0095
_cod_original_formula_sum        'Fe5 Li1 O8'
_cod_database_code               1541958
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+3/4,x+1/4,z+3/4
-x+1/2,-y,z+1/2
y+3/4,-x+3/4,z+1/4
x+1/2,-y+1/2,-z
y+1/4,x+3/4,-z+3/4
-x,y+1/2,-z+1/2
-y+1/4,-x+1/4,-z+1/4
z,x,y
-x+3/4,z+1/4,y+3/4
-z+1/2,-x,y+1/2
x+3/4,-z+3/4,y+1/4
z+1/2,-x+1/2,-y
x+1/4,z+3/4,-y+3/4
-z,x+1/2,-y+1/2
-x+1/4,-z+1/4,-y+1/4
y,z,x
y+1/2,-z+1/2,-x
z+1/4,y+3/4,-x+3/4
-y,z+1/2,-x+1/2
-z+1/4,-y+1/4,-x+1/4
-y+1/2,-z,x+1/2
z+3/4,-y+3/4,x+1/4
-z+3/4,y+1/4,x+3/4
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
Fe2 Fe+3 0.003 0.003 0.003 1 0.0
O2 O-2 0.382 0.382 0.382 1 0.0
Li1 Li+1 0.625 0.625 0.625 1 0.0
O1 O-2 0.132 -0.132 0.132 1 0.0
Fe1 Fe+3 0.125 0.378 -0.128 1 0.0
