#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/04/1010465.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_1010465
loop_
_publ_author_name
'Ketelaar, J A A'
_publ_section_title
;
Die Kristallstruktur der Aluminiumhalogenide
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              119
_journal_page_last               131
_journal_volume                  85
_journal_year                    1933
_chemical_formula_structural     'Al F3'
_chemical_formula_sum            'Al F3'
_chemical_name_systematic        'Aluminium fluoride'
_space_group_IT_number           155
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 3* 2'
_symmetry_space_group_name_H-M   'R 3 2 :R'
_cell_angle_alpha                58.52
_cell_angle_beta                 58.52
_cell_angle_gamma                58.52
_cell_formula_units_Z            2
_cell_length_a                   5.029(5)
_cell_length_b                   5.029(5)
_cell_length_c                   5.029(5)
_cell_volume                     86.9
_cod_original_sg_symbol_H-M      'R 3 2 R'
_cod_database_code               1010465
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,-x,-z
y,z,x
-x,-z,-y
z,x,y
-z,-y,-x
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Al1 Al3+ 2 c 0.237(2) 0.237(2) 0.237(2) 1. 0 d
F1 F1- 3 d 0.430(3) 0.570(3) 0. 1. 0 d
F2 F1- 3 e 0.070(3) 0.930(3) 0.5 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Al3+ 3.000
F1- -1.000
