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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/1/53/56/1535686.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_1535686
loop_
_publ_author_name
'Troyanov, S.I.'
_publ_section_title
;
 Crystal structure of FeCl3 polytyped modifications
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1946
_journal_page_last               1949
_journal_volume                  38
_journal_year                    1993
_chemical_formula_sum            'Cl3 Fe'
_chemical_name_systematic        'Fe Cl3'
_space_group_IT_number           147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            24
_cell_length_a                   6.063
_cell_length_b                   6.063
_cell_length_c                   69.7
_cell_volume                     2218.904
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Troyanov_ZNOKAQ_1993_1397.cif
_cod_data_source_block           Cl3Fe1
_cod_original_formula_sum        'Cl3 Fe1'
_cod_database_code               1535686
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-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
Fe11 Fe+3 0.3333 0.6667 0.4585 1 0.0
Fe8 Fe+3 0 0 0.2923 1 0.0
Fe3 Fe+3 -0.3333 0.3333 0.1254 1 0.0
Fe9 Fe+3 -0.3333 0.3333 0.3753 1 0.0
Cl2 Cl-1 -0.332 0.97 0.0608 1 0.0
Fe10 Fe+3 0.3333 0.6667 0.3748 1 0.0
Fe1 Fe+3 0 0 0.0416 1 0.0
Fe6 Fe+3 0 0 0.2096 1 0.0
Cl10 Cl-1 -0.003 0.646 0.3936 1 0.0
Cl4 Cl-1 0.002 0.655 0.1423 1 0.0
Cl11 Cl-1 0.298 0.97 0.4384 1 0.0
Fe5 Fe+3 0.3333 0.6667 0.2089 1 0.0
Cl3 Cl-1 -0.011 0.348 0.1048 1 0.0
Cl6 Cl-1 0.662 0.955 0.2287 1 0.0
Fe2 Fe+3 0.3333 0.6667 0.0418 1 0.0
Fe12 Fe+3 0 0 0.4587 1 0.0
Fe7 Fe+3 -0.3333 0.3333 0.2921 1 0.0
Cl1 Cl-1 -0.336 0.684 0.0224 1 0.0
Cl8 Cl-1 -0.302 0.018 0.3106 1 0.0
Cl12 Cl-1 0.032 0.698 0.4779 1 0.0
Cl9 Cl-1 -0.01 0.352 0.3556 1 0.0
Cl5 Cl-1 0.665 0.707 0.1872 1 0.0
Fe4 Fe+3 0.3333 0.6667 0.1253 1 0.0
Cl7 Cl-1 -0.021 0.305 0.2713 1 0.0
