#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/39/1523978.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_1523978
loop_
_publ_author_name
'Amit, M.'
'Horowitz, A.'
'Makovsky, J.'
'Ron, E.'
_publ_section_title
;
 Preparation and crystal structures of some compounds of the A3 B X5 type
 (A= Cs, Tl, NH4, B= Mn, Fe, Co, X= Cl, Br)
;
_journal_name_full               'Israel Journal of Chemistry'
_journal_page_first              749
_journal_page_last               763
_journal_volume                  11
_journal_year                    1973
_chemical_formula_sum            'Cl5 Fe Tl3'
_chemical_name_systematic        'Tl3 Fe Cl5'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.4
_cell_length_b                   8.4
_cell_length_c                   14.738
_cell_volume                     1039.913
_citation_journal_id_ASTM        ISJCAT
_cod_data_source_file            Amit_ISJCAT_1973_587.cif
_cod_data_source_block           Cl5Fe1Tl3
_cod_original_formula_sum        'Cl5 Fe1 Tl3'
_cod_database_code               1523978
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z+1/2
y,x,-z+1/2
-x,y,-z+1/2
-y,-x,-z+1/2
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z-1/2
-y,-x,z-1/2
x,-y,z-1/2
y,x,z-1/2
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1
y+1/2,x+1/2,-z+1
-x+1/2,y+1/2,-z+1
-y+1/2,-x+1/2,-z+1
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z
-y+1/2,-x+1/2,z
x+1/2,-y+1/2,z
y+1/2,x+1/2,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
Tl1 Tl+1 0.16 0.66 0.5 1 0.0
Fe1 Fe+2 0 0.5 0.25 1 0.0
Tl2 Tl+1 0 0 0.25 1 0.0
Cl1 Cl-1 0.14 0.64 0.16 1 0.0
Cl2 Cl-1 0 0 0 1 0.0
