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#$Date: 2025-08-18 17:14:33 +0200 (Mon, 18 Aug 2025) $
#$Revision: 301778 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/54/1535488.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_1535488
loop_
_publ_author_name
'Hoennerscheid, A.'
'Nuss, J.'
'Muehle, C.'
'Jansen, M.'
_publ_section_title
;
 Die Kristallstrukturen der Hydroxyhalogenide Li4 (O H)3 Br und Li4 (O H)3
 I
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              317
_journal_page_last               320
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'Br H3 Li4 O3'
_chemical_name_systematic        'Li4 (O H)3 Br'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.82
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.4541
_cell_length_b                   7.5813
_cell_length_c                   6.502
_cell_volume                     268.255
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Hoennerscheid_ZAACAB_2003_786.cif
_cod_data_source_block           H3Br1Li4O3
_cod_original_formula_sum        'H3 Br1 Li4 O3'
_cod_database_code               1535488
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-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
O1 O-2 0.7487 0.25 0.77002 1 0.0
Li3 Li+1 0.65 0.0223 0.865 1 0.0
H1 H+1 0.8125 0.25 0.6543 1 0.0
Br1 Br-1 0.176 0.25 0.3306 1 0.0
Li2 Li+1 0.404 0.25 0.693 1 0.0
O2 O-2 0.2929 0.0561 0.8519 1 0.0
H2 H+1 0.7818 0.0149 0.2095 1 0.0
Li1 Li+1 0.077 0.25 0.913 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139047088
