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#$Date: 2025-08-21 02:27:06 +0300 (Thu, 21 Aug 2025) $
#$Revision: 301840 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/39/4343944.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_4343944
loop_
_publ_author_name
'Wilson, M.P.'
'Alcock, N.W.'
'Rodger, P.M.'
_publ_section_title
;
 Structure of anhydrous alkali-metal formates
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4359
_journal_page_last               4363
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C H Cs O2'
_chemical_name_systematic        'Cs O O C H'
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.7938
_cell_length_b                   9.5339
_cell_length_c                   7.9101
_cell_volume                     361.520
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Wilson_INOCAJ_2006_940.cif
_cod_data_source_block           C1H1Cs1O2
_cod_original_cell_volume        361.5201
_cod_original_formula_sum        'C1 H1 Cs1 O2'
_cod_database_code               4343944
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y-1/2,z
x,-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
O1 O-2 0.5313 0.1724 -0.25 1 0.0
C1 C+4 0.5998 0.0446 -0.25 1 0.0
O2 O-2 0.8442 -0.0029 -0.25 1 0.0
Cs1 Cs+1 0.04647 0.25 0 1 0.0
H1 H-1 0.4525 -0.022 -0.25 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 23663999
