#------------------------------------------------------------------------------
#$Date: 2015-10-10 13:43:37 +0300 (Sat, 10 Oct 2015) $
#$Revision: 165392 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/42/4344294.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_4344294
loop_
_publ_author_name
'Friedman, R.M.'
'Corbett, J.D.'
_publ_section_title
;
 Synthesis and Structural Characterization of Bismuth(1+) Nonabismuth(5+)
 Hexachlorohafnate(IV), Bi Bi9 (Hf Cl6)3
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1134
_journal_page_last               1139
_journal_volume                  12
_journal_year                    1973
_chemical_formula_sum            'Bi10 Cl18 Hf3'
_chemical_name_systematic        'Bi10 (Hf Cl6)3'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   13.89
_cell_length_b                   13.89
_cell_length_c                   10.692
_cell_volume                     1786.463
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Friedman_INOCAJ_1973_1171.cif
_cod_data_source_block           Bi10Cl18Hf3
_cod_database_code               4344294
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-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
Hf1 Hf+4 0.1193 0.34 0.25 1 0.0
Cl4 Cl-1 0.173 0.2539 0.0876 1 0.0
Cl2 Cl-1 0.2601 0.0702 0.25 1 0.0
Bi3 Bi+1 0 0 0.1041 0.5 0.0
Bi2 Bi 0.4877 0.3722 0.25 1 0.0
Cl3 Cl-1 0.0658 0.4347 0.087 1 0.0
Bi1 Bi 0.5205 0.2141 0.0753 1 0.0
Cl1 Cl-1 0.3054 0.5032 0.25 1 0.0
