#------------------------------------------------------------------------------
#$Date: 2024-05-06 08:39:41 +0100 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/83/9008349.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_9008349
loop_
_publ_author_name
'Pearson, W. B.'
_publ_section_title
;
 The Cu2Sb and related structures
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              23
_journal_page_last               39
_journal_volume                  171
_journal_year                    1985
_chemical_formula_structural     TaSiAs
_chemical_formula_sum            'As Si Ta'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.499
_cell_length_b                   3.499
_cell_length_c                   7.857
_cell_formula_units_Z            2
_cell_volume                     96.193
_database_code_amcsd             0010907
_exptl_crystal_density_diffrn    9.804
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Si As Ta'
_cod_database_code               9008349
_amcsd_formula_title             TaSiAs
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-y,1/2-x,z
y,x,-z
y,-x,-z
1/2-y,1/2+x,z
x,-y,z
1/2-x,1/2+y,-z
1/2+x,1/2+y,-z
-x,-y,z
1/2+y,1/2+x,z
-y,-x,-z
-y,x,-z
1/2+y,1/2-x,z
-x,y,z
1/2+x,1/2-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si 0.00000 0.00000 0.00000
As 0.50000 0.00000 0.60900
Ta 0.50000 0.00000 0.25600
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010907