#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/02/2310282.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_2310282
loop_
_publ_author_name
'Cromer, D.T.'
'Larson, A.C.'
'Roof, R.B.jr.'
_publ_section_title
;
 The crystal structure of Ce Cu6
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              913
_journal_page_last               918
_journal_volume                  13
_journal_year                    1960
_chemical_formula_sum            'Ce Cu6'
_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                   8.112
_cell_length_b                   5.102
_cell_length_c                   10.162
_cell_volume                     420.579
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Cromer_ACCRA9_1960_757.cif
_cod_data_source_block           Ce1Cu6
_cod_original_formula_sum        'Ce1 Cu6'
_cod_database_code               2310282
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
Cu3 Cu 0.5619 0.25 0.5976 1 0.0
Cu5 Cu 0.4354 0.0042 0.1908 1 0.0
Ce1 Ce 0.2602 0.25 0.4354 1 0.0
Cu4 Cu 0.9014 0.25 0.5154 1 0.0
Cu1 Cu 0.1467 0.25 0.1418 1 0.0
Cu2 Cu 0.8179 0.25 0.755 1 0.0
