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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/97/1529748.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_1529748
loop_
_publ_author_name
'Cava, R.J.'
'Santoro, A.'
'Murphy, D.W.'
'Zahurak, S.M.'
'Roth, R.S.'
_publ_section_title
;
 Structural aspects of lithium insertion in oxides: Lix Re O3 and Li2 Fe
 V3 O8
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              323
_journal_page_last               326
_journal_volume                  5
_journal_year                    1981
_chemical_formula_sum            'Fe Li2 O8 V3'
_chemical_name_systematic        'Li2 Fe V3 O8'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.227
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.9593
_cell_length_b                   3.918
_cell_length_c                   6.4653
_cell_volume                     289.351
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Cava_SSIOD3_1981_684.cif
_cod_data_source_block           Fe1Li2O8V3
_cod_original_cell_volume        289.3513
_cod_original_formula_sum        'Fe1 Li2 O8 V3'
_cod_database_code               1529748
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-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
V1 V+4 0.278 0 0.625 0.875 0.0
Fe1 Fe+2 0.278 0 0.625 0.125 0.0
O4 O-2 0.1202 0 0.6815 1 0.0
O1 O-2 0.3495 0 0.9971 1 0.0
V2 V+4 0.3972 0 0.316 0.625 0.0
O3 O-2 0.4418 0 0.639 1 0.0
Fe2 Fe+2 0.3972 0 0.316 0.375 0.0
O2 O-2 0.2283 0 0.3415 1 0.0
Li1 Li+1 0.0491 0 0.344 1 0.0
