#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/54/1535496.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_1535496
loop_
_publ_author_name
'Hoennerscheid, A.'
'Jansen, M.'
'Nuss, J.'
'Muehle, C.'
_publ_section_title
;
 Die Kristallstrukturen der Monohydrate von Lithiumchlorid und
 Lithiumbromid
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              312
_journal_page_last               316
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'Br H2 Li O'
_chemical_name_systematic        'Li Br (H2 O)'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.0615
_cell_length_b                   7.9944
_cell_length_c                   7.9461
_cell_volume                     512.101
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Hoennerscheid_ZAACAB_2003_803.cif
_cod_data_source_block           H2Br1Li1O1
_cod_original_cell_volume        512.1011
_cod_original_formula_sum        'H2 Br1 Li1 O1'
_cod_database_code               1535496
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x+1/2,-y+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
Br1 Br-1 0.2434 0.0224 0.25 1 0.0
Li2 Li+1 0 0.318 0.25 1 0.0
O1 O-2 0 0.2565 0.4974 1 0.0
Li1 Li+1 0 0 0.5 1 0.0
H1 H+1 0.089 0.2964 0.5483 1 0.0
