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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/12/1511295.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_1511295
loop_
_publ_author_name
'Ellner, M.'
'Mittemeijer, E.J.'
'Beck, M.'
_publ_section_title
;
 Powder diffraction data for borides Pd3 B and Pd5 B2 and the formation of
 an amorphous boride Pd2 B
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              98
_journal_page_last               101
_journal_paper_doi               10.1154/1.1351156
_journal_volume                  16
_journal_year                    2001
_chemical_formula_sum            'B Pd3'
_chemical_name_systematic        'Pd3 B'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.4602
_cell_length_b                   7.5596
_cell_length_c                   4.8417
_cell_volume                     199.851
_citation_journal_id_ASTM        PODIE2
_cod_data_source_file            boron0-1_427.cif
_cod_data_source_block           B1Pd3
_cod_original_cell_volume        199.8505
_cod_original_formula_sum        'B1 Pd3'
_cod_database_code               1511295
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,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
Pd2 Pd 0.0384 0.25 0.8456 1 0.0
B1 B 0.884 0.25 0.433 1 0.0
Pd1 Pd 0.18 0.0695 0.3284 1 0.0
