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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/29/7222980.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_7222980
loop_
_publ_author_name
'Hippler, K.'
'Vogt, P.'
'Wortmann, R.'
'Sabrowsky, H.'
_publ_section_title
;
 Ueber die Interalkalimetallselenide KLiSe und KNaSe
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              1607
_journal_page_last               1609
_journal_volume                  44
_journal_year                    1989
_chemical_formula_sum            'K Na Se'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.063
_cell_length_b                   4.817
_cell_length_c                   8.651
_cell_volume                     336.000
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Hippler_ZNBSEN_1989_1993.cif
_cod_data_source_block           K1Na1Se1
_cod_original_cell_volume        336.0002
_cod_original_formula_sum        'K1 Na1 Se1'
_cod_database_code               7222980
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
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
Se1 Se-2 0.2214 0.25 0.3956 1 0.0
Na1 Na+1 0.353 0.25 0.0757 1 0.0
K1 K+1 0.4867 0.25 0.6847 1 0.0
