#------------------------------------------------------------------------------
#$Date: 2024-05-06 09:39:41 +0200 (Mon 06 de May de 2024) $
#$Revision: 291735 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/89/9008964.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9008964
loop_
_publ_author_name
'Wyckoff, R. W. G.'
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              85
_journal_page_last               237
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     PdSe
_chemical_formula_sum            'Pd S'
_space_group_IT_number           84
_symmetry_space_group_name_Hall  '-P 4c'
_symmetry_space_group_name_H-M   'P 42/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.72
_cell_length_b                   6.72
_cell_length_c                   6.90
_cell_formula_units_Z            8
_cell_volume                     311.593
_database_code_amcsd             0011642
_exptl_crystal_density_diffrn    5.904
_cod_database_code               9008964
_amcsd_formula_title             PdSe
loop_
_space_group_symop_operation_xyz
x,y,z
y,-x,1/2-z
-y,x,1/2+z
x,y,-z
-x,-y,z
-y,x,1/2-z
y,-x,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pd1 0.00000 0.00000 0.25000
Pd2 0.00000 0.50000 0.00000
Pd3 0.45500 0.23500 0.50000
S 0.20000 0.32500 0.23000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0011642
