#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/48/1534883.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_1534883
loop_
_publ_author_name
'Baumann, A.'
'Beck, J.'
_publ_section_title
;
 Synthesis and crystal structure if Te6 (M Cl6) (M = Zr, Hf), containing a
 polymeric chalcogen cation (Te6(2+))n
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2078
_journal_page_last               2082
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'Cl6 Hf Te6'
_chemical_name_systematic        'Te6 (Hf Cl6)'
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.9479
_cell_length_b                   10.8631
_cell_length_c                   13.2502
_cell_volume                     1575.822
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Baumann_ZAACAB_2004_1727.cif
_cod_data_source_block           Cl6Hf1Te6
_cod_original_formula_sum        'Cl6 Hf1 Te6'
_cod_database_code               1534883
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y-1/2,z
x,-y-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
Te4 Te 0.26555 0.23846 -0.25 1 0.0
Te3 Te 0.01866 0.25 0 1 0.0
Cl1 Cl-1 0.5698 0.0569 0.25 1 0.0
Hf1 Hf+4 0.73876 0.201 0.25 1 0.0
Cl4 Cl-1 0.84315 0.07353 0.37967 1 0.0
Cl3 Cl-1 0.64426 0.32825 0.12007 1 0.0
Te1 Te 0.18047 0.40209 -0.10088 1 0.0
Te2 Te 0.38545 0.37088 0.02304 1 0.0
Cl2 Cl-1 0.9133 0.3378 0.25 1 0.0
