#------------------------------------------------------------------------------
#$Date: 2015-09-18 01:38:40 +0200 (vie 18 de sep de 2015) $
#$Revision: 157401 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/18/1531822.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_1531822
loop_
_publ_author_name
'Melnychenko, N.'
'Bodak, O.'
'Romaka, L.'
'Fruchart, D.'
'Stadnyk, Yu.'
_publ_section_title
;
 Zr - Cu - Sb ternary system and the crystal structure of new ternary
 compounds
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              89
_journal_page_last               91
_journal_volume                  352
_journal_year                    2003
_chemical_formula_sum            'Cu3.03 Sb2.97 Zr2'
_chemical_name_systematic        'Zr2 Cu3.03 Sb2.97'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.9589
_cell_length_b                   3.9589
_cell_length_c                   9.8182
_cell_volume                     153.880
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Melnychenko_JALCEU_2003_1361.cif
_cod_data_source_block           Cu3.03Sb2.97Zr2
_cod_original_cell_volume        153.8796
_cod_database_code               1531822
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x,z
-x+1/2,-y+1/2,z
y,-x+1/2,z
x+1/2,-y,-z
y+1/2,x+1/2,-z
-x,y+1/2,-z
-y,-x,-z
-x,-y,-z
y-1/2,-x,-z
x-1/2,y-1/2,-z
-y,x-1/2,-z
-x-1/2,y,z
-y-1/2,-x-1/2,z
x,-y-1/2,z
y,x,z
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
Zr1 Zr 0.25 0.25 0.28197 1 0.0
Sb1 Sb 0.75 0.25 0 1 0.0
Sb2 Sb 0.25 0.25 0.8275 0.485 0.0
Cu2 Cu 0.25 0.25 0.8275 0.515 0.0
Cu1 Cu 0.75 0.25 0.5 1 0.0
