#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/68/2106896.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2106896
loop_
_publ_author_name
'Bsenko, L.'
_publ_section_title
;
 The crystal structure of Hf3 Cu8 and Zr3 Cu8
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2220
_journal_page_last               2224
_journal_volume                  32
_journal_year                    1976
_chemical_formula_sum            'Cu8 Hf3'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.8113
_cell_length_b                   8.1014
_cell_length_c                   9.947
_cell_volume                     629.471
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Bsenko_ACBCAR_1976_1281.cif
_cod_data_source_block           Cu8Hf3
_cod_original_cell_volume        629.4706
_cod_database_code               2106896
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,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
Cu5 Cu 0.36932 0.25 0.76548 1 0.0
Cu1 Cu 0.37912 0.57601 0.16013 1 0.0
Cu4 Cu 0.11655 0.25 0.90329 1 0.0
Cu2 Cu 0.19893 0.49897 0.40644 1 0.0
Hf1 Hf 0.06255 0.44594 0.14022 1 0.0
Cu6 Cu 0.32283 0.25 0.51676 1 0.0
Cu3 Cu 0.28548 0.25 0.27349 1 0.0
Hf2 Hf 0.45964 0.25 0.0467 1 0.0
