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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/03/1530330.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_1530330
loop_
_publ_author_name
'Maeland, A.J.'
'Lukacevic, E.'
'Santoro, A.'
'Rush, J.J.'
_publ_section_title
;
 Neutron powder diffraction and inelastic scattering study of the
 structures of Zr2 Pd, Zr2 Pd D1.70 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            'D1.7 Pd Zr2'
_chemical_name_systematic        'Zr2 Pd D1.70'
_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                   3.3207
_cell_length_b                   3.3207
_cell_length_c                   11.6058
_cell_volume                     127.978
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Maeland_JCOMAH_1987_1389.cif
_cod_data_source_block           D1.7Pd1Zr2
_cod_original_cell_volume        127.9777
_cod_original_formula_sum        'D1.7 Pd1 Zr2'
_cod_database_code               1530330
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
D1 D 0 0.5 0.25 0.851 0.0
Pd1 Pd 0 0 0 1 0.0
Zr1 Zr 0 0 0.3566 1 0.0
