#------------------------------------------------------------------------------
#$Date: 2015-10-14 01:41:44 +0300 (Wed, 14 Oct 2015) $
#$Revision: 167890 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/91/1539121.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_1539121
loop_
_publ_author_name
'Sprenger, H.'
'Nickl, J.J.'
_publ_section_title
;
 Neue ternaere Uebergangsmetallsilizide und -Germanide vom Fe2 P-Typ: Zr3
 Cu4 Si2, Zr3 Cu4 Ge2, Hf3 Cu4 Si2 und Hf3 Cu4 Ge2
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              163
_journal_page_last               168
_journal_volume                  27
_journal_year                    1972
_chemical_formula_sum            'Cu4 Si2 Zr3'
_chemical_name_systematic        'Zr3 Cu4 Si2'
_space_group_IT_number           189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   6.372
_cell_length_b                   6.372
_cell_length_c                   3.98
_cell_volume                     139.948
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Sprenger_JCOMAH_1972_1199.cif
_cod_data_source_block           Cu4Si2Zr3
_cod_original_cell_volume        139.9475
_cod_database_code               1539121
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+y,-x,-z
-y,x-y,z
x,y,-z
-x+y,-x,z
-y,x-y,-z
y,x,z
x-y,-y,-z
-x,-x+y,z
y,x,-z
x-y,-y,z
-x,-x+y,-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
Cu2 Cu 0 0 0.5 1 0.0
Cu1 Cu 0.249 0 0 1 0.0
Si1 Si 0.3333 0.6667 0 1 0.0
Zr1 Zr 0.58 0 0.5 1 0.0
