#------------------------------------------------------------------------------
#$Date: 2025-08-19 11:35:14 +0200 (Tue, 19 Aug 2025) $
#$Revision: 301801 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/2/02/03/2020342.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2020342
loop_
_publ_author_name
'Zuniga, F.J.'
'Breczewski, T.'
'Arnaiz, A.'
_publ_section_title
;
 Structure of cesium selenate
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              638
_journal_page_last               640
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'Cs2 O4 Se'
_chemical_name_systematic        'Cs2 (Se O4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.3777
_cell_length_b                   11.276
_cell_length_c                   6.434
_cell_volume                     607.800
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Zuniga_ACSCEE_1991_1588.cif
_cod_data_source_block           Cs2O4Se1
_cod_original_cell_volume        607.8003
_cod_original_sg_symbol_Hall     '-P 2ac 2n (-x,z,y)'
_cod_original_formula_sum        'Cs2 O4 Se1'
_cod_database_code               2020342
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
x+1/2,-y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
x-1/2,-y-1/2,z
-x-1/2,y-1/2,z-1/2
x,y,-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
Cs1 Cs+1 0.17676 0.09001 0.25 1 0.0
O3 O-2 0.0392 0.4178 0.25 1 0.0
O2 O-2 0.3022 0.5546 0.25 1 0.0
O1 O-2 0.3032 0.3525 0.0418 1 0.0
Cs2 Cs+1 -0.01048 0.70606 0.25 1 0.0
Se1 Se+6 0.23482 0.41877 0.25 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 165862
