#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/26/9012614.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_9012614
loop_
_publ_author_name
'Okamura, K.'
_publ_section_title
;Lattice modulation in the long period ordered alloys studied by X-ray
 diffraction. III. Cu3Pd Locality: synthetic Note: Coordinates of Cu6 altered
 to reproduce reported bond lengths
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              1005
_journal_page_last               1014
_journal_paper_doi               10.1143/JPSJ.28.1005
_journal_volume                  28
_journal_year                    1970
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu21 Pd7'
_chemical_name_mineral           Nielsenite
_space_group_IT_number           99
_symmetry_space_group_name_Hall  'P 4 -2'
_symmetry_space_group_name_H-M   'P 4 m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.710
_cell_length_b                   3.710
_cell_length_c                   25.655
_cell_formula_units_Z            1
_cell_volume                     353.118
_database_code_amcsd             0014169
_exptl_crystal_density_diffrn    9.778
_cod_database_code               9012614
loop_
_space_group_symop_operation_xyz
x,y,z
-y,-x,z
-y,x,z
x,-y,z
-x,-y,z
y,x,z
y,-x,z
-x,y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cu1 0.50000 0.00000 0.07140 0.01165
Cu2 0.50000 0.00000 0.21430 0.01153
Cu3 0.50000 0.00000 0.35710 0.01165
Cu4 0.50000 0.00000 0.50000 0.00849
Cu5 0.50000 0.00000 0.64280 0.01165
Cu6 0.50000 0.00000 0.78570 0.01165
Cu7 0.50000 0.00000 0.92860 0.01165
Cu8 0.50000 0.50000 0.00030 0.01165
Cu9 0.50000 0.50000 0.14330 0.01684
Cu10 0.50000 0.50000 0.28540 0.01608
Cu11 0.50000 0.50000 0.42800 0.01115
Cu12 0.00000 0.00000 0.57170 0.01469
Cu13 0.00000 0.00000 0.71430 0.01608
Cu14 0.00000 0.00000 0.85860 0.01456
Pd15 0.00000 0.00000 -0.00040 0.00925
Pd16 0.00000 0.00000 0.14270 0.00861
Pd17 0.00000 0.00000 0.28590 0.00874
Pd18 0.00000 0.00000 0.42900 0.01064
Pd19 0.50000 0.50000 0.57140 0.00988
Pd20 0.50000 0.50000 0.71440 0.00925
Pd21 0.50000 0.50000 0.85730 0.01001
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014169
