#------------------------------------------------------------------------------
#$Date: 2015-07-13 04:08:58 +0200 (Mon, 13 Jul 2015) $
#$Revision: 149329 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/76/1527654.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_1527654
loop_
_publ_author_name
'Klingen, W.'
'Eulenberger, G.'
'Hahn, H.'
_publ_section_title
;
 Ueber die Kristallstrukturen von Fe2 P2 Se6 und Fe2 P2 S6
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              97
_journal_page_last               112
_journal_volume                  401
_journal_year                    1973
_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                 107.2
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.934
_cell_length_b                   10.28
_cell_length_c                   6.772
_cell_volume                     394.628
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Klingen_ZAACAB_1973_1937.cif
_cod_data_source_block           Fe2P2S6
_cod_original_cell_volume        394.6277
_cod_database_code               1527654
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
P1 P+4 0.0571 0 0.1708 1 0.0
Fe1 Fe+2 0 0.3328 0 1 0.0
S1 S-2 0.7508 0 0.2474 1 0.0
S2 S-2 0.2481 0.1659 0.2479 1 0.0
