#------------------------------------------------------------------------------
#$Date: 2024-08-07 20:09:39 +0300 (Wed, 07 Aug 2024) $
#$Revision: 294031 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/77/9007789.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_9007789
loop_
_publ_author_name
'Ye, J.'
'Horiuchi, H.'
'Shishido, T.'
'Ukei, K.'
'Fukuda, T.'
_publ_section_title
;
 Structure of Ta5SnGa2
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1193
_journal_page_last               1195
_journal_paper_doi               10.1107/S0108270189011303
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     Ta5SnGa2
_chemical_formula_sum            'Ga2 Sn Ta5'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.354
_cell_length_b                   10.354
_cell_length_c                   5.1795
_cell_volume                     555.270
_database_code_amcsd             0010151
_exptl_crystal_density_diffrn    13.911
_cod_original_formula_sum        'Ta5 Ga2 Sn'
_cod_database_code               9007789
_amcsd_formula_title             Ta5SnGa2
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
-y,-x,1/2+z
1/2-y,1/2-x,+z
y,x,1/2-z
1/2+y,1/2+x,-z
y,-x,-z
1/2+y,1/2-x,1/2-z
-y,x,z
1/2-y,1/2+x,1/2+z
x,-y,1/2+z
1/2+x,1/2-y,+z
-x,y,1/2-z
1/2-x,1/2+y,-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
y,x,1/2+z
1/2+y,1/2+x,+z
-y,-x,1/2-z
1/2-y,1/2-x,-z
-y,x,-z
1/2-y,1/2+x,1/2-z
y,-x,z
1/2+y,1/2-x,1/2+z
-x,y,1/2+z
1/2-x,1/2+y,+z
x,-y,1/2-z
1/2+x,1/2-y,-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
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ta1 0.07340 0.22080 0.00000 1.00000 0.00811
Ta2 0.00000 0.50000 0.25000 1.00000 0.00861
Ga1 0.00000 0.00000 0.25000 1.00000 0.00735
Sn 0.33220 0.16780 0.00000 0.50000 0.00823
Ga2 0.33220 0.16780 0.00000 0.50000 0.00823
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1
;cod-tools version 3.10.1
Id: cif_fix_AMCSD_atom_labels 10224 2024-08-07 11:09:31Z saulius
;
2024-08-07T19:39:53+03:00
;Changed the following '_atom_site_label' values:
the first duplicated label 'Ga'  converted to 'Ga1'
duplicated label 'Ga' at index 4 converted to 'Ga2'
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010151
