#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/75/9017528.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_9017528
loop_
_publ_author_name
'El-Boragy M'
'Szepan, R.'
'Schubert, K.'
_publ_section_title
;
 Kristallstruktur von Cu3Al2+ (h) und CuAl (r)
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              133
_journal_page_last               140
_journal_volume                  29
_journal_year                    1972
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al5 Cu5'
_chemical_name_mineral           Cupalite
_space_group_IT_number           12
_space_group_name_Hall           '-I 2y'
_space_group_name_H-M_alt        'I 1 2/m 1'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 89.996
_cell_angle_gamma                90
_cell_length_a                   9.889
_cell_length_b                   4.105
_cell_length_c                   6.913
_cell_formula_units_Z            2
_cell_volume                     280.629
_database_code_amcsd             0020057
_exptl_crystal_density_diffrn    5.357
_cod_data_source_file            inputs/fixed/downloads/17/17630.cif
_cod_data_source_block           17630
_cod_original_formula_sum        'Cu5 Al5'
_cod_database_code               9017528
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
x,-y,z
1/2+x,1/2-y,1/2+z
-x,y,-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu1 0.00000 0.00000 0.00000
Cu2 0.25600 0.00000 0.01600
Cu3 0.10900 0.00000 0.33700
Al1 0.00000 0.50000 0.50000
Al2 0.15500 0.00000 0.69800
Al3 0.38200 0.00000 0.39500
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020057
