#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/03/2310310.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_2310310
loop_
_publ_author_name
'Roof, R.B.jr.'
'Larson, A.C.'
'Cromer, D.T.'
_publ_section_title
;
 The crystal structure of Ce7 Ni3
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              1084
_journal_page_last               1087
_journal_volume                  14
_journal_year                    1961
_chemical_formula_sum            'Ce7 Ni3'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.92
_cell_length_b                   9.92
_cell_length_c                   6.33
_cell_volume                     539.458
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Roof_ACCRA9_1961_847.cif
_cod_data_source_block           Ce7Ni3
_cod_original_cell_volume        539.4581
_cod_database_code               2310310
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
y,x,z+1/2
-x+y,y,z
-x,-x+y,z+1/2
-y,-x,z
x-y,-y,z+1/2
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
Ce2 Ce 0.125 0.875 0 1 0.0
Ni1 Ni 0.8118 0.1882 0.0496 1 0.0
Ce3 Ce 0.5391 0.4609 0.8011 1 0.0
Ce1 Ce 0.3333 0.6667 0.7888 1 0.0
