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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/1/53/00/1530007.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_1530007
loop_
_publ_author_name
'Gorbatyii, L.V.'
'Ponomarev, V.I.'
'Heiker, D.M.'
_publ_section_title
;
 About the crystal structures of the trihydroselenates of potassium K H3
 (Se O3)2 and of sodium Na H3 (Se O3)2
;
_journal_name_full               Kristallografiya
_journal_page_first              899
_journal_page_last               904
_journal_volume                  16
_journal_year                    1971
_chemical_formula_sum            'H3 K O6 Se2'
_chemical_name_systematic        'K H3 (Se O3)2'
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.15
_cell_length_b                   6.252
_cell_length_c                   6.298
_cell_volume                     635.908
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Gorbatyii_KRISAJ_1971_894.cif
_cod_data_source_block           H3K1O6Se2
_cod_original_cell_volume        635.9078
_cod_original_formula_sum        'H3 K1 O6 Se2'
_cod_database_code               1530007
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x,y,-z+1/2
-x,-y,-z
x-1/2,y-1/2,-z-1/2
-x-1/2,y-1/2,z
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
O1 O-2 0.1096 0.3892 0.0724 1 0.0
O2 O-2 0.0665 0.1108 0.3581 1 0.0
K1 K+1 0.5 0.1888 0.25 1 0.0
O3 O-2 0.2081 0.3242 0.4088 1 0.0
Se1 Se+4 0.1514 0.1882 0.2125 1 0.0
