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#$Date: 2015-07-10 18:27:23 +0300 (Fri, 10 Jul 2015) $
#$Revision: 142633 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/24/1522408.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_1522408
loop_
_publ_author_name
'Maeland, A.J.'
'Lukacevic, E.'
'Rush, J.J.'
'Santoro, A.'
_publ_section_title
;
 Neutron powder diffraction and inelastic scattering study of structures
 of Zr2 Pd, Zr2 Pd D1.7 and Zr2 Pd D1.96
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              77
_journal_page_last               91
_journal_volume                  129
_journal_year                    1987
_chemical_formula_sum            'Pd Zr2'
_chemical_name_systematic        'Pd Zr2'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.3086
_cell_length_b                   3.3086
_cell_length_c                   10.8918
_cell_volume                     119.231
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Maeland_JCOMAH_1987_1812.cif
_cod_data_source_block           Pd1Zr2
_cod_original_cell_volume        119.2307
_cod_chemical_formula_sum_orig   'Pd1 Zr2'
_cod_database_code               1522408
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,-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
-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
Zr1 Zr 0 0 0.3446 1 0.0
Pd1 Pd 0 0 0 1 0.0