#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/26/4002631.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4002631
loop_
_publ_author_name
'Zaremba, V.I.'
'Kaczorowski, D.'
'Poettgen, R.'
'Rodewald, U.C.'
'Hoffmann, R.D.'
_publ_section_title
;
 La Pd In2 with Mg Cu Al2 and RE Pd In2 (RE = Y, Pr, Nd, Sm, Gd-Tm, Lu)
 with Hf Ni Ga2 type structure: synthesis, structure, and physical
 properties
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              466
_journal_page_last               476
_journal_volume                  16
_journal_year                    2004
_chemical_formula_sum            'In2 Pd Pr'
_chemical_name_systematic        'Pr Pd In2'
_space_group_IT_number           107
_symmetry_space_group_name_Hall  'I 4 -2'
_symmetry_space_group_name_H-M   'I 4 m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            20
_cell_length_a                   13.977
_cell_length_b                   13.977
_cell_length_c                   9.255
_cell_volume                     1808.025
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Zaremba_CMATEX_2004_1231.cif
_cod_data_source_block           In2Pd1Pr1
_cod_original_formula_sum        'In2 Pd1 Pr1'
_cod_database_code               4002631
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+1/2,z+1/2
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
Pd2 Pd 0.66014 0.66014 0.9688 1 0.0
Pr2 Pr 0.703249 0.703249 0.63088 1 0.0
In1 In 0.85917 0.64726 0.88008 1 0.0
In2 In 0.83413 0 0.28644 1 0.0
Pr4 Pr 1 0 0.54244 1 0.0
In3 In 0.61702 0 0.14024 1 0.0
Pr3 Pr 0 0 0.01276 1 0.0
Pd3 Pd 0 0.5 0.8881 1 0.0
In4 In 0.86651 0.86651 0.78597 1 0.0
Pd1 Pd 0.78208 0 0.9765 1 0.0
Pr1 Pr 0.7195 0 0.6182 1 0.0
