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#$Date: 2025-08-18 17:14:33 +0200 (Mon, 18 Aug 2025) $
#$Revision: 301778 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/98/1539886.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_1539886
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 S4'
_chemical_name_systematic        'K6 (Mn S4)'
_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                   9.873
_cell_length_b                   9.873
_cell_length_c                   7.645
_cell_volume                     645.366
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Bronger_ZAACAB_1989_382.cif
_cod_data_source_block           K6Mn1S4
_cod_original_cell_volume        645.3665
_cod_original_formula_sum        'K6 Mn1 S4'
_cod_database_code               1539886
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
Mn1 Mn+2 0.3333 0.6667 0.25 1 0.0
S2 S-2 0.19627 -0.19627 0.1499 1 0.0
S1 S-2 0.3333 0.6667 0.572 1 0.0
K1 K+1 0.1461 -0.1461 0.5463 1 0.0
K2 K+1 0.5389 -0.5389 0.3657 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139047478
