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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/2/10/63/2106358.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_2106358
loop_
_publ_author_name
'Kalman, A.'
'Stephens, J.S.'
'Cruickshank, D.W.J.'
_publ_section_title
;
 The crystal structure of K2 Se O4
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1451
_journal_page_last               1454
_journal_volume                  26
_journal_year                    1970
_chemical_formula_sum            'K2 O4 Se'
_chemical_name_systematic        'K2 (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                   7.661
_cell_length_b                   10.466
_cell_length_c                   6.003
_cell_volume                     481.321
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Kalman_ACBCAR_1970_1050.cif
_cod_data_source_block           K2O4Se1
_cod_original_cell_volume        481.3206
_cod_original_sg_symbol_Hall     '-P 2ac 2n (-x,z,y)'
_cod_original_formula_sum        'K2 O4 Se1'
_cod_database_code               2106358
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
O2 O-2 0.3024 -0.4356 0.25 1 0.0
K1 K+1 0.1705 0.0843 0.25 1 0.0
K2 K+1 -0.0057 -0.2905 0.25 1 0.0
O3 O-2 0.0126 0.4251 0.25 1 0.0
Se1 Se+6 0.2242 0.42 0.25 1 0.0
O1 O-2 0.2931 0.3471 0.0271 1 0.0
