#------------------------------------------------------------------------------
#$Date: 2025-08-18 17:14:33 +0200 (Mon, 18 Aug 2025) $
#$Revision: 301778 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/65/1536552.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_1536552
loop_
_publ_author_name
'Wickleder, M.S.'
_publ_section_title
;
 Crystal structure of Li Cl O4
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1466
_journal_page_last               1468
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'Cl Li O4'
_chemical_name_systematic        'Li (Cl O4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.6567
_cell_length_b                   6.9129
_cell_length_c                   4.8323
_cell_volume                     289.179
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Wickleder_ZAACAB_2003_1096.cif
_cod_data_source_block           Cl1Li1O4
_cod_original_cell_volume        289.1789
_cod_original_formula_sum        'Cl1 Li1 O4'
_cod_database_code               1536552
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
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
O2 O-2 0.87089 0.57929 0.1789 1 0.0
Cl1 Cl+7 0.81743 0.75 0.04191 1 0.0
Li1 Li+1 0 0.5 0.5 1 0.0
O3 O-2 0.871 0.75 0.7605 1 0.0
O1 O-2 0.65011 0.75 0.0467 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 23665649
