#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (mar 27 de ene de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/01/1010159.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_1010159
loop_
_publ_author_name
'Brosset, C'
_publ_section_title
;
Herstellung und Kristallbau der Verbindungen Tl Al F₄ und Tl₂ Al
F₅
;
_journal_coden_ASTM              ZAACAB
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              139
_journal_page_last               147
_journal_paper_doi               10.1002/zaac.19372350119
_journal_volume                  235
_journal_year                    1937
_chemical_formula_structural     'Tl2 Al F5'
_chemical_formula_sum            'Al F5 Tl2'
_chemical_name_systematic        'Dithallium aluminium fluoride'
_space_group_IT_number           20
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      20
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.06(1)
_cell_length_b                   8.24(1)
_cell_length_c                   7.46(1)
_cell_volume                     618.4
_exptl_crystal_density_meas      5.53
_cod_database_code               1010159
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z
-x,-y,1/2+z
-x,y,1/2-z
1/2+x,1/2+y,z
1/2+x,1/2-y,-z
1/2-x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
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
Tl1 Tl1+ 8 c 0.29 0.2 0. 1. 0 d
Al1 Al3+ 4 b 0. 0. 0.25 1. 0 d
F1 F1- 4 b 0. 0.23 0.25 1. 0 d
F2 F1- 4 b 0. 0.77 0.25 1. 0 d
F3 F1- 4 a 0.033 0. 0. 1. 0 d
F4 F1- 8 c 0.19 0. 0.29 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Tl1+ 1.000
Al3+ 3.000
F1- -1.000
