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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/31/1533135.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_1533135
loop_
_publ_author_name
'El Maadi, A.'
'Bennazha, J.'
'Holt, E.M.'
'Reau, J.M.'
'Boukhari, A.'
_publ_section_title
;
 New palladium phosphate complexes: K2 Pd P2 O7 and K3.5 Pd2.25 (P2 O7)2
 synthesis, single crystal structure and conductivity
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              865
_journal_page_last               874
_journal_volume                  38
_journal_year                    2003
_chemical_formula_sum            'K2 O7 P2 Pd'
_chemical_name_systematic        'K2 Pd (P2 O7)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.379
_cell_length_b                   10.953
_cell_length_c                   6.938
_cell_volume                     712.728
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            ElMaadi_MRBUAC_2003_548.cif
_cod_data_source_block           K2O7P2Pd1
_cod_original_cell_volume        712.7281
_cod_original_sg_symbol_Hall     '-P 2ac 2n (-x,z,y)'
_cod_original_formula_sum        'K2 O7 P2 Pd1'
_cod_database_code               1533135
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
x+1/2,-y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
x-1/2,-y-1/2,z
-x-1/2,y-1/2,z-1/2
x,y,-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
O5 O-2 0.834 0.3174 0.25 0.5 0.0
O2 O-2 0.8725 0.1349 0.4701 1 0.0
O1 O-2 -0.0012 0.3353 0.547 1 0.0
O3 O-2 0.7348 0.3289 0.5443 1 0.0
O4 O-2 -0.091 0.3219 0.25 0.5 0.0
K1 K+1 0.1499 0.4671 0.25 1 0.0
P1 P+5 0.869 0.2701 0.4656 1 0.0
Pd1 Pd+2 0.1177 0.2542 0.75 1 0.0
K2 K+1 -0.0899 -0.0327 0.75 1 0.0
