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#$Date: 2015-10-14 19:26:44 +0300 (Wed, 14 Oct 2015) $
#$Revision: 168963 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/98/1539882.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_1539882
loop_
_publ_author_name
'Bronger, W.'
'Auffermann, G.'
_publ_section_title
;
 K3 Pd H3, ein komplexes Hydrid mit linearen [Pd H22-]-Baugruppen
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              163
_journal_page_last               167
_journal_volume                  158
_journal_year                    1990
_chemical_formula_sum            'D3 K3 Pd'
_chemical_name_systematic        'K3 Pd H3'
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.7
_cell_length_b                   10.7
_cell_length_c                   10.535
_cell_volume                     1206.152
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Bronger_JCOMAH_1990_606.cif
_cod_data_source_block           D3K3Pd1
_cod_chemical_formula_sum_orig   'D3 K3 Pd1'
_cod_database_code               1539882
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+1/2
-x,-y,z
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y,x,-z
-x+1/2,y+1/2,-z+1/2
-y,-x,-z
-x,-y,-z
y-1/2,-x-1/2,-z-1/2
x,y,-z
-y-1/2,x-1/2,-z-1/2
-x-1/2,y-1/2,z-1/2
-y,-x,z
x-1/2,-y-1/2,z-1/2
y,x,z
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 0 0 0 1 0.0
Pd3 Pd 0 0.5 0 1 0.0
K1 K 0.3 0.3 0 1 0.0
D4 D 0.25 0.25 0.25 1 0.0
K2 K 0.3 0.7 0 1 0.0
D1 D 0 0 0.34 1 0.0
Pd2 Pd 0 0 0.5 1 0.0
K3 K 0 0.25 0.197 1 0.0
D3 D 0.843 0.5 0 1 0.0
D2 D 0.111 0.111 0 1 0.0