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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/98/1539890.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_1539890
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 Te4'
_chemical_name_systematic        'K6 (Mn Te4)'
_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                   10.911
_cell_length_b                   10.911
_cell_length_c                   8.387
_cell_volume                     864.702
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Bronger_ZAACAB_1989_387.cif
_cod_data_source_block           K6Mn1Te4
_cod_original_cell_volume        864.7019
_cod_original_formula_sum        'K6 Mn1 Te4'
_cod_database_code               1539890
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
K1 K+1 0.1451 -0.1451 0.5463 1 0.0
Te2 Te-2 0.19337 -0.19337 0.1458 1 0.0
K2 K+1 0.5251 -0.5251 0.3649 1 0.0
Te1 Te-2 0.3333 0.6667 0.5805 1 0.0
Mn1 Mn+2 0.3333 0.6667 0.25 1 0.0
