#------------------------------------------------------------------------------
#$Date: 2015-10-11 16:20:52 +0300 (Sun, 11 Oct 2015) $
#$Revision: 165750 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/75/1537535.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_1537535
loop_
_publ_author_name
'Klingen, W.'
'Eulenberger, G.'
'Hahn, H.'
_publ_section_title
;
 Ueber Hexachalkogeno-hypodiphosphate vom Typ M2 P2 X6
;
_journal_name_full               Naturwissenschaften
_journal_page_first              88
_journal_page_last               88
_journal_volume                  57
_journal_year                    1970
_chemical_formula_sum            'Fe2 P2 S6'
_chemical_name_systematic        'Fe2 (P2 S6)'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.16
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.93
_cell_length_b                   10.28
_cell_length_c                   6.72
_cell_volume                     391.418
_citation_journal_id_ASTM        NATWAY
_cod_data_source_file            Klingen_NATWAY_1970_1770.cif
_cod_data_source_block           Fe2P2S6
_cod_original_cell_volume        391.4179
_cod_database_code               1537535
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-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
Fe1 Fe+3 0 0.333 0 1 0.0
S1 S-2 0.751 0 0.247 1 0.0
P1 P+3 0.057 0 0.171 1 0.0
S2 S-2 0.248 0.166 0.248 1 0.0
