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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/02/02/2020245.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2020245
loop_
_publ_author_name
'Fuhrmann, J.'
'Pickardt, J.'
_publ_section_title
;
 Structure of Mn2 Si S4
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1808
_journal_page_last               1809
_journal_volume                  45
_journal_year                    1989
_chemical_formula_sum            'Mn2 S4 Si'
_chemical_name_systematic        'Mn2 (Si S4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.688
_cell_length_b                   7.429
_cell_length_c                   5.942
_cell_volume                     560.088
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Fuhrmann_ACSCEE_1989_791.cif
_cod_data_source_block           Mn2S4Si1
_cod_original_cell_volume        560.0878
_cod_original_formula_sum        'Mn2 S4 Si1'
_cod_database_code               2020245
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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
Mn2 Mn+2 0.22946 0.25 0.5105 1 0.0
Mn1 Mn+2 0 0 0 1 0.0
Si1 Si+4 0.40964 0.25 0.09316 1 0.0
S1 S-2 0.4071 0.25 0.73915 1 0.0
S3 S-2 0.33299 0.02463 0.24595 1 0.0
S2 S-2 0.56466 0.25 0.23667 1 0.0
