#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/45/1534539.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_1534539
loop_
_publ_author_name
'Savilov, S.V.'
'Kuznetsov, A.N.'
'Getzschmann, J.'
'Popovkin, B.A.'
'Simon, P.'
'Khrustalev, V.N.'
'Ruck, M.'
'Doert, T.'
_publ_section_title
;
 Synthesis, crystal structure and electronic structure of modulated
 Pd(7-delta) Sn Te2
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              293
_journal_page_last               301
_journal_volume                  631
_journal_year                    2005
_chemical_formula_sum            'Pd6.2 Sn Te2'
_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                   4.005
_cell_length_b                   4.005
_cell_length_c                   20.93
_cell_volume                     335.718
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Savilov_ZAACAB_2005_1680.cif
_cod_data_source_block           Pd6.2Sn1Te2
_cod_original_cell_volume        335.7177
_cod_original_formula_sum        'Pd6.2 Sn1 Te2'
_cod_database_code               1534539
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
Te1 Te 0 0 0.32033 1 0.0
Pd1 Pd 0 0.5 0.09406 1 0.0
Pd2 Pd 0 0 0.5 1 0.0
Sn1 Sn 0 0 0 1 0.0
Pd3 Pd 0 0 0.19738 0.603 0.0
