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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/8/10/37/8103749.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_8103749
loop_
_publ_author_name
'Friese, K.'
'Hoennerscheid, A.'
'Jansen, M.'
_publ_section_title
;
 Crystal structure determination of systematically intergrown compounds:
 Li5 (O H)2 Br3 and Li2 (O H) Br
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              536
_journal_page_last               541
_journal_volume                  218
_journal_year                    2003
_chemical_formula_sum            'Br3 H2 Li5 O2'
_chemical_name_systematic        'Li5 (O H)2 Br3'
_space_group_IT_number           119
_symmetry_space_group_name_Hall  'I -4 -2'
_symmetry_space_group_name_H-M   'I -4 m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.02335
_cell_length_b                   4.02335
_cell_length_c                   21.5638
_cell_volume                     349.061
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Friese_ZEKRDZ_2003_1778.cif
_cod_data_source_block           H2Br3Li5O2
_cod_original_cell_volume        349.0606
_cod_original_formula_sum        'H2 Br3 Li5 O2'
_cod_database_code               8103749
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+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
Li3 Li+1 0 0.5 0.41 1 0.0
O1 O-2 0 0 0.4036 1 0.0
Li1 Li+1 0 0 0.5 1 0.0
Li2 Li+1 0 0 0.3139 1 0.0
Br2 Br-1 0 0 0.81113 1 0.0
Br1 Br-1 0 0 0 1 0.0
