#------------------------------------------------------------------------------
#$Date: 2015-10-08 11:23:39 +0200 (jue 08 de oct de 2015) $
#$Revision: 161074 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/68/2106870.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_2106870
loop_
_publ_author_name
'Cromer, D.T.'
'Larson, A.C.'
'Roof, R.B.jr.'
_publ_section_title
;
 The crystal structure of Pu Pd4
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              564
_journal_page_last               567
_journal_volume                  29
_journal_year                    1973
_chemical_formula_sum            'Pd4 Pu3'
_chemical_name_systematic        'Pu3 Pd4'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   13.344
_cell_length_b                   13.344
_cell_length_c                   5.744
_cell_volume                     885.762
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Cromer_ACBCAR_1973_645.cif
_cod_data_source_block           Pd4Pu3
_cod_original_cell_volume        885.7621
_cod_database_code               2106870
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
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
Pu1 Pu 0.04448 0.21134 0.23709 1 0.0
Pd2 Pd 0 0 0.5 1 0.0
Pd1 Pd 0 0 0 1 0.0
Pd3 Pd 0.27255 0.21762 0.27772 1 0.0
