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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/50/1525051.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_1525051
loop_
_publ_author_name
'Palvadeau, P.'
'Coic, L.'
'Rouxel, J.'
'Portier, J.'
_publ_section_title
;
 The lithium and molecular intercalates of Fe O Cl
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              221
_journal_page_last               227
_journal_volume                  13
_journal_year                    1978
_chemical_formula_sum            'Cl Fe Li0.5 O'
_chemical_name_systematic        'Li0.5 Fe O Cl'
_space_group_IT_number           59
_symmetry_space_group_name_Hall  'P 2ac 2ac -1ac'
_symmetry_space_group_name_H-M   'P m n m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.781
_cell_length_b                   7.893
_cell_length_c                   3.293
_cell_volume                     98.274
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Palvadeau_MRBUAC_1978_351.cif
_cod_data_source_block           Cl1Fe1Li0.5O1
_cod_original_cell_volume        98.27442
_cod_original_sg_symbol_Hall     '-P 2ab 2a (y-1/4,z,x-1/4)'
_cod_original_formula_sum        'Cl1 Fe1 Li0.5 O1'
_cod_database_code               1525051
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x+1/2,-y,z+1/2
x+1/2,-y,-z+1/2
-x+1/2,-y,-z+1/2
x+1/2,-y,z+1/2
x,y,-z
-x,y,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
O1 O-2 0 -0.048 0 1 0.0
Fe1 Fe+3 0 0.116 0.5 1 0.0
Li1 Li+1 0 0.64 0.5 0.5 0.0
Cl1 Cl-1 0 0.33 0 1 0.0
