#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/98/1539850.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1539850
loop_
_publ_author_name
'Crevecoeur, C.'
'Romers, C.'
_publ_section_title
;
 The crystal structure of Cu Ta S3
;
_journal_name_full
;
Koninklijke Nederlandse Akademie van Wetenschappen, Series B: Physical 
Sciences: Proceedings
;
_journal_page_first              289
_journal_page_last               291
_journal_volume                  67
_journal_year                    1964
_chemical_formula_sum            'Cu S3 Ta'
_chemical_name_systematic        'Cu (Ta S3)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.49
_cell_length_b                   11.82
_cell_length_c                   3.53
_cell_volume                     395.966
_citation_journal_id_ASTM        KNWBAA
_cod_data_source_file            Crevecoeur_KNWBAA_1964_1287.cif
_cod_data_source_block           Cu1S3Ta1
_cod_original_cell_volume        395.9664
_cod_original_sg_symbol_Hall     '-P 2ac 2n (-x,z,y)'
_cod_original_formula_sum        'Cu1 S3 Ta1'
_cod_database_code               1539850
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
x+1/2,-y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
x-1/2,-y-1/2,z
-x-1/2,y-1/2,z-1/2
x,y,-z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
S2 S-2 0.0796 0.1 0.25 1 0.0
S3 S-2 0.0745 0.685 0.25 1 0.0
S1 S-2 0.2219 0.406 0.25 1 0.0
Ta1 Ta+5 0.1071 0.87 0.25 1 0.0
Cu1 Cu+1 0.2691 0.215 0.25 1 0.0
