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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/69/1536920.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_1536920
loop_
_publ_author_name
'Zakharov, M.A.'
'Troyanov, S.I.'
'Kemnitz, E.'
_publ_section_title
;
 Calcium leaching from glass in selenic acid. The crystal structure of
 calcium hydrogen selenates: Ca (H Se O4)2 * H2 O and Cs Ca (H Se O4)3
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1061
_journal_page_last               1064
_journal_volume                  49
_journal_year                    2004
_chemical_formula_sum            'Ca H4 O9 Se2'
_chemical_name_systematic        'Ca (H Se O4)2 (H2 O)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.99
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.839
_cell_length_b                   15.199
_cell_length_c                   8.163
_cell_volume                     724.005
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Zakharov_ZNOKAQ_2004_1253.cif
_cod_data_source_block           H4Ca1O9Se2
_cod_original_cell_volume        724.0046
_cod_original_formula_sum        'H4 Ca1 O9 Se2'
_cod_database_code               1536920
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-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
H2 H+1 0.249 0.493 0.014 1 0.0
O8 O-2 0.245 0.51054 0.0826 1 0.0
Se1 Se+6 0.27785 0.368052 0.7061 1 0.0
H3 H+1 0.819 0.209 0.337 1 0.0
O6 O-2 0.4735 0.36905 0.21793 1 0.0
O5 O-2 0.0081 0.36666 0.1866 1 0.0
O7 O-2 0.2081 0.47641 0.3965 1 0.0
H4 H+1 0.84 0.206 0.484 1 0.0
H1 H+1 0.445 0.291 0.894 1 0.0
Ca1 Ca+2 0.77364 0.39645 0.42348 1 0.0
O4 O-2 0.3099 0.31257 0.88826 1 0.0
O9 O-2 0.7642 0.22966 0.4065 1 0.0
O2 O-2 0.4934 0.34183 0.5969 1 0.0
O3 O-2 0.0283 0.33581 0.6335 1 0.0
Se2 Se+6 0.2381 0.425201 0.22132 1 0.0
O1 O-2 0.2734 0.47252 0.7573 1 0.0
