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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/56/1535690.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_1535690
loop_
_publ_author_name
'Troyanov, S.I.'
'Kharisov, B.I.'
'Berdonosov, S.S.'
_publ_section_title
;
 X-ray structural study of iron(II) hexachlorohafnate(IV) FeHfCl6
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              476
_journal_page_last               477
_journal_volume                  38
_journal_year                    1993
_chemical_formula_sum            'Cl6 Fe Hf'
_chemical_name_systematic        'Fe (Hf Cl6)'
_space_group_IT_number           163
_symmetry_space_group_name_Hall  '-P 3 2c'
_symmetry_space_group_name_H-M   'P -3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   6.274
_cell_length_b                   6.274
_cell_length_c                   11.779
_cell_volume                     401.539
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Troyanov_ZNOKAQ_1993_1436.cif
_cod_data_source_block           Cl6Fe1Hf1
_cod_original_cell_volume        401.5394
_cod_original_formula_sum        'Cl6 Fe1 Hf1'
_cod_database_code               1535690
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,-z+1/2
x,x-y,-z+1/2
-x+y,y,-z+1/2
-x,-y,-z
y,-x+y,-z
x-y,x,-z
y,x,z-1/2
-x,-x+y,z-1/2
x-y,-y,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
Cl1 Cl-1 0.3358 0.3114 0.6303 1 0.0
Hf1 Hf+4 0.6667 0.3333 0.75 1 0.0
Fe1 Fe+2 0 0 0.75 1 0.0
