#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/05/2310589.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_2310589
loop_
_publ_author_name
'Gronvold, F.'
'Rost, E.'
_publ_section_title
;
 The crystal structure of Pd Se2 and Pd S2
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              329
_journal_page_last               331
_journal_volume                  10
_journal_year                    1957
_chemical_formula_sum            'Pd S2'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.46
_cell_length_b                   5.541
_cell_length_c                   7.531
_cell_volume                     227.842
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Gronvold_ACCRA9_1957_236.cif
_cod_data_source_block           Pd1S2
_cod_original_cell_volume        227.8418
_cod_original_formula_sum        'Pd1 S2'
_cod_database_code               2310589
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z
x,-y-1/2,z-1/2
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 0.107 0.112 0.425 1 0.0
Pd1 Pd+4 0 0 0 1 0.0
