#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/56/1535681.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_1535681
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           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   6.056
_cell_length_b                   6.056
_cell_length_c                   17.407
_cell_volume                     552.874
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Troyanov_ZNOKAQ_1993_1395.cif
_cod_data_source_block           Cl3Fe1
_cod_original_cell_volume        552.8742
_cod_original_formula_sum        'Cl3 Fe1'
_cod_database_code               1535681
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
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
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 -0.33382 -0.30931 0.4113 1 0.0
Fe1 Fe+3 0 0 0.33348 1 0.0
