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#$Date: 2015-10-14 19:31:00 +0300 (Wed, 14 Oct 2015) $
#$Revision: 168969 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/98/1539888.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_1539888
loop_
_publ_author_name
'Bronger, W.'
'Balk-Hardtdegen, H.'
_publ_section_title
;
 Darstellung, Struktur und magnetisches Verhalten von
 Alkalimetallmanganchalkogeniden A6 Mn X4 mit A = Na oder K und X = S, Se
 oder Te
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              89
_journal_page_last               98
_journal_volume                  574
_journal_year                    1989
_chemical_formula_sum            'K6 Mn Se4'
_chemical_name_systematic        'K6 (Mn Se4)'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.263
_cell_length_b                   10.263
_cell_length_c                   7.885
_cell_volume                     719.252
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Bronger_ZAACAB_1989_385.cif
_cod_data_source_block           K6Mn1Se4
_cod_original_cell_volume        719.2518
_cod_chemical_formula_sum_orig   'K6 Mn1 Se4'
_cod_database_code               1539888
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
y,x,z+1/2
-x+y,y,z
-x,-x+y,z+1/2
-y,-x,z
x-y,-y,z+1/2
x,x-y,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
K2 K+1 0.5276 -0.5276 0.3666 1 0.0
Mn1 Mn+2 0.3333 0.6667 0.25 1 0.0
K1 K+1 0.1459 -0.1459 0.5465 1 0.0
Se1 Se-2 0.3333 0.6667 0.5767 1 0.0
Se2 Se-2 0.19457 -0.19457 0.1489 1 0.0