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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/51/1535198.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_1535198
loop_
_publ_author_name
'Heines, P.'
'Hanfland, M.'
'Bouvier, P.'
'Keller, H.L.'
_publ_section_title
;
 Neue Alkalimetall-halogenopalladate(II) mit Iodeinlagerung -
 Kristallstrukturen, Phasenuebergaenge und Spektroskopie
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              545
_journal_page_last               550
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'Br4 Cs2 I2 Pd'
_chemical_name_systematic        '(Cs2 (Pd Br4)) (I2)'
_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                   8.4896
_cell_length_b                   8.4896
_cell_length_c                   9.0853
_cell_volume                     654.808
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Heines_ZAACAB_2003_860.cif
_cod_data_source_block           Br4Cs2I2Pd1
_cod_original_cell_volume        654.8077
_cod_original_formula_sum        'Br4 Cs2 I2 Pd1'
_cod_database_code               1535198
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
Pd1 Pd+2 0 0 0 1 0.0
I1 I 0 0 0.34815 1 0.0
Cs1 Cs+1 0 0.5 0.25 1 0.0
Br1 Br-1 0.20356 0.20356 0 1 0.0
