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#$Date: 2018-07-22 04:11:30 +0200 (Sun, 22 Jul 2018) $
#$Revision: 209181 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/52/1535242.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_1535242
loop_
_publ_author_name
'Merinov, B.V.'
'Bolotina, N.B.'
'Baranov, A.I.'
'Shuvalov, L.A.'
_publ_section_title
;
 Crystal structure of ferroelastic phase II of Cs3H(SeO4)2
;
_journal_name_full               Kristallografiya
_journal_page_first              1131
_journal_page_last               1134
_journal_volume                  36
_journal_year                    1991
_chemical_formula_sum            'Cs3 H O8 Se2'
_chemical_name_systematic        'Cs3 H (Se O4)2'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-A 2ya'
_space_group_name_H-M_alt        'A 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.69
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.037
_cell_length_b                   6.415
_cell_length_c                   16.062
_cell_volume                     1109.448
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Merinov_KRISAJ_1991_1189.cif
_cod_data_source_block           H1Cs3O8Se2
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-07-23
;
_cod_original_formula_sum        'H1 Cs3 O8 Se2'
_cod_database_code               1535242
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,y,-z
3 -x,-y,-z
4 x-1/2,-y,z
5 x,y+1/2,z+1/2
6 -x+1/2,y+1/2,-z+1/2
7 -x,-y+1/2,-z+1/2
8 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
Cs1 Cs+1 0.25 0.7445 0 1 0.0
O2 O-2 0.4466 0.17 0.0104 1 0.0
O3 O-2 0.6127 0.231 0.1541 1 0.0
Cs2 Cs+1 0.65219 0.7268 0.19205 1 0.0
H1 H+1 0.5 0 0 1 0.0
O1 O-2 0.4005 0.022 0.1545 1 0.0
O4 O-2 0.3954 0.437 0.1269 1 0.0
Se1 Se+6 0.46459 0.2177 0.11594 1 0.0
