#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/22/2002219.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_2002219
loop_
_publ_author_name
'Arpe, R'
'Mueller-Buschbaum, Hk'
_publ_section_title              'Zur Kenntnis von Bi2 Pd O4'
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (2,1947-32,1977)
;
_journal_page_first              1708
_journal_page_last               1709
_journal_volume                  31
_journal_year                    1976
_chemical_formula_structural     'Bi2 (Pd O4)'
_chemical_formula_sum            'Bi2 O4 Pd'
_chemical_name_systematic        'Dibismuth palladate'
_space_group_IT_number           108
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      108
_symmetry_space_group_name_Hall  'I 4 -2c'
_symmetry_space_group_name_H-M   'I 4 c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.623
_cell_length_b                   8.623
_cell_length_c                   5.909
_cell_volume                     439.4
_refine_ls_R_factor_all          0.127
_cod_database_code               2002219
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
1/2-x,1/2+y,z
1/2+x,1/2-y,z
-y,x,z
y,-x,z
1/2-y,1/2-x,z
1/2+y,1/2+x,z
1/2+x,1/2+y,1/2+z
1/2-x,1/2-y,1/2+z
-x,y,1/2+z
x,-y,1/2+z
1/2-y,1/2+x,1/2+z
1/2+y,1/2-x,1/2+z
-y,-x,1/2+z
y,x,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Bi1 Bi3+ 8 c 0.1778 0.3222 0. 1. 0 d
Pd1 Pd2+ 4 a 0. 0. 0.1699 1. 0 d
O1 O2- 16 d 0.21 0.098 0.15 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Bi3+ 3.000
Pd2+ 2.000
O2- -2.000
