#------------------------------------------------------------------------------
#$Date: 2016-01-01 13:09:32 +0200 (Fri, 01 Jan 2016) $
#$Revision: 172014 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/36/7223665.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_7223665
loop_
_publ_author_name
'Wortmann, R.'
'Sitta, S.'
'Sabrowsky, H.'
_publ_section_title
;
 Li7O2Br3 - Eine weitere Strukturvariante der neuen
 Alkalimetallchalcogenidhalogenid-Perowskite
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              1348
_journal_page_last               1350
_journal_volume                  44
_journal_year                    1989
_chemical_formula_sum            'Br3 Li7 O2'
_chemical_name_systematic        'Li7 O2 Br3'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.035
_cell_length_b                   4.035
_cell_length_c                   21.61
_cell_volume                     351.837
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Wortmann_ZNBSEN_1989_1979.cif
_cod_data_source_block           Br3Li7O2
_cod_original_cell_volume        351.8372
_cod_database_code               7223665
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+1/2,z+1/2
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 0.0933 1 0.0
Br1 Br-1 0 0 0.3134 1 0.0
Li1 Li+1 0 0.5 0.0933 1 0.0
Li3 Li+1 0 0 0 1 0.0
Br2 Br-1 0 0 0.5 1 0.0
Li2 Li+1 0 0 0.1865 1 0.0
