#------------------------------------------------------------------------------
#$Date: 2014-07-11 17:04:56 +0100 (Fri, 11 Jul 2014) $
#$Revision: 120072 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/28/2002851.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_2002851
loop_
_publ_author_name
'Meyer, H-J'
'Mueller-Buschbaum, Hk'
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              293
_journal_page_last               298
_journal_volume                  76
_journal_year                    1976
_chemical_formula_structural     (Fe,Mn)(Ta,Nb)2O6
_chemical_formula_sum            Pd
_chemical_name_mineral           Allopalladium
_chemical_name_systematic        Palladium
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      164
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   2.779
_cell_length_b                   2.779
_cell_length_c                   6.806
_cell_volume                     45.5
_refine_ls_R_factor_all          0.06
_cod_database_code               2002851
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
-y,-x,z
x,x-y,z
y-x,y,z
-x,-y,-z
y,y-x,-z
x-y,x,-z
y,x,-z
-x,y-x,-z
x-y,-y,-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
Pd1 Pd0 1 a 0. 0. 0. 1. 0 d
Pd2 Pd0 2 d 0.3333 0.6667 0.3317 0.185 0 d
Pd3 Pd0 2 d 0.3333 0.6667 0.6683 0.165 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Pd0 0.000
_journal_paper_doi 10.1016/0022-5088(80)90032-6