#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/65/2106505.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_2106505
loop_
_publ_author_name
'Gabathuler, J.P.'
'Parthe, E.'
'White, P.'
_publ_section_title
;
 Zr14 Cu51 and Hf14 Cu51 with Gd Ag3.6 structure type
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              608
_journal_page_last               610
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'Cu51 Hf14'
_space_group_IT_number           175
_symmetry_space_group_name_Hall  '-P 6'
_symmetry_space_group_name_H-M   'P 6/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   11.18
_cell_length_b                   11.18
_cell_length_c                   8.235
_cell_volume                     891.411
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Gabathuler_ACBCAR_1975_1928.cif
_cod_data_source_block           Cu51Hf14
_cod_original_cell_volume        891.4107
_cod_database_code               2106505
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
-x,-y,-z
-x+y,-x,-z
y,-x+y,-z
x,y,-z
x-y,x,-z
-y,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
Cu7 Cu 0.1146 0.1352 0 0.5 0.0
Hf3 Hf 0.4712 0.1417 0.5 1 0.0
Cu6 Cu 0.1044 0.4373 0.3296 1 0.0
Cu1 Cu 0.3333 0.6667 0 1 0.0
Cu5 Cu 0.4942 0.1163 0.152 1 0.0
Hf2 Hf 0.1138 0.3893 0 1 0.0
Hf1 Hf 0 0 0.3114 1 0.0
Cu2 Cu 0.3333 0.6667 0.2931 1 0.0
Cu3 Cu 0.0611 0.2403 0.5 1 0.0
Cu4 Cu 0.1914 0.2651 0.2365 1 0.0
