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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/20/1522051.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_1522051
loop_
_publ_author_name
'Troyanov, S.I.'
'Zakharov, M.A.'
'Morozov, I.V.'
'Kemnitz, E.'
_publ_section_title
;
 Synthesis and crystal structure of hydrogen selenates K (H Se O4) (H2 Se
 O4) and Cs (H Se O4) (H2 Se O4)
;
_journal_name_full               Kristallografiya
_journal_page_first              607
_journal_page_last               611
_journal_volume                  44
_journal_year                    1999
_chemical_formula_sum            'H3 K O8 Se2'
_chemical_name_systematic        'K (H Se O4) (H2 Se O4)'
_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                 111.41
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.846
_cell_length_b                   12.032
_cell_length_c                   8.735
_cell_volume                     767.706
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Troyanov_KRISAJ_1999_443.cif
_cod_data_source_block           H3K1O8Se2
_cod_original_cell_volume        767.7061
_cod_original_formula_sum        'H3 K1 O8 Se2'
_cod_database_code               1522051
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
O2 O-2 -0.0571 0.3884 0.2245 1 0.0
O7 O-2 0.466 0.3787 0.2283 1 0.0
H2 H+1 0.34 0.442 0.195 1 0.0
H1 H+1 0.22 0.439 0.49 1 0.0
K1 K+1 0.8667 0.2485 -0.0491 1 0.0
O3 O-2 0.1974 0.5077 0.1558 1 0.0
O6 O-2 0.6237 0.2244 0.1156 1 0.0
O5 O-2 0.2533 0.2152 0.0447 1 0.0
O4 O-2 0.2028 0.4995 0.4657 1 0.0
O1 O-2 -0.044 0.616 0.2426 1 0.0
Se2 Se+6 0.43475 0.28862 0.07421 1 0.0
Se1 Se+6 0.06409 0.49893 0.26131 1 0.0
H3 H+1 0.31 0.367 0.86 1 0.0
O8 O-2 0.4006 0.3684 -0.0942 1 0.0
