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#$Date: 2015-10-14 19:31:42 +0300 (Wed, 14 Oct 2015) $
#$Revision: 168972 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/98/1539891.cif $
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#
# 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_1539891
loop_
_publ_author_name
'Bronger, W.'
'Balk-Hardtdegen, H.'
'Schmitz, D.'
_publ_section_title
;
 Ueber Alkalimetallmanganchalkogenide A2 Mn X2 mit A = K, Rb oder Cs und X
 = S, Se oder Te
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              99
_journal_page_last               106
_journal_volume                  574
_journal_year                    1989
_chemical_formula_sum            'K2 Mn S2'
_chemical_name_systematic        'K2 (Mn S2)'
_space_group_IT_number           72
_symmetry_space_group_name_Hall  '-I 2 2c'
_symmetry_space_group_name_H-M   'I b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.932
_cell_length_b                   12.636
_cell_length_c                   6.179
_cell_volume                     541.236
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Bronger_ZAACAB_1989_389.cif
_cod_data_source_block           K2Mn1S2
_cod_original_cell_volume        541.2356
_cod_chemical_formula_sum_orig   'K2 Mn1 S2'
_cod_database_code               1539891
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z+1/2
-x,y,-z+1/2
-x,-y,-z
x,y,-z
-x,y,z-1/2
x,-y,z-1/2
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z+1
-x+1/2,y+1/2,-z+1
-x+1/2,-y+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-x+1/2,y+1/2,z
x+1/2,-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
Mn1 Mn+2 0 0 0.25 1 0.0
S1 S-2 0.1953 0.8965 0 1 0.0
K1 K+1 0.345 0.1478 0 1 0.0