#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/42/8104241.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_8104241
loop_
_publ_author_name
'Bronger, W.'
'Balk-Hardtdegen, H.'
'Muller, P.'
_publ_section_title
;
 Zusammenhaenge zwischen Struktur und magnetischen Eigenschaften von
 Manganverbindungen mit tetraedrisch koordinierten Mn(II)
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              47
_journal_page_last               49
_journal_volume                  182
_journal_year                    1988
_chemical_formula_sum            'Mn Na6 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                   9.036
_cell_length_b                   9.036
_cell_length_c                   6.96
_cell_volume                     492.144
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Bronger_ZEKRDZ_1988_584.cif
_cod_data_source_block           Mn1Na6S4
_cod_original_cell_volume        492.1442
_cod_original_formula_sum        'Mn1 Na6 S4'
_cod_database_code               8104241
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
S1 S-2 0.3333 0.6667 0.5992 1 0.0
Na2 Na+1 0.53243 0.46757 0.3671 1 0.0
S2 S-2 0.18567 0.81433 0.1412 1 0.0
Na1 Na+1 0.14533 0.85467 0.5378 1 0.0
Mn1 Mn+2 0.3333 0.6667 0.25 1 0.0
