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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/1/53/52/1535202.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_1535202
loop_
_publ_author_name
'Heines, P.'
'Keller, H.-L.'
'Bouvier, P.'
'Hanfland, M.'
_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 I2 Pd Rb2'
_chemical_name_systematic        '(Rb2 (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                   8.4099
_cell_length_b                   8.4099
_cell_length_c                   9.0229
_cell_volume                     638.157
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Heines_ZAACAB_2003_862.cif
_cod_data_source_block           Br4I2Pd1Rb2
_cod_original_cell_volume        638.1573
_cod_original_formula_sum        'Br4 I2 Pd1 Rb2'
_cod_database_code               1535202
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
Br1 Br-1 0.2043 0.2043 0 1 0.0
Rb1 Rb+1 0.5 0 0.25 1 0.0
I1 I 0 0 0.3473 1 0.0
Pd1 Pd+2 0 0 0 1 0.0
