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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/2/10/70/2107056.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2107056
loop_
_publ_author_name
'le Fur, Y.'
_publ_section_title
;
 Structure du pentafluorodiberyllate Tl Be2 F5
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1159
_journal_page_last               1163
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'Be2 F5 Tl'
_chemical_name_systematic        'Tl Be2 F5'
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.06
_cell_length_b                   4.65
_cell_length_c                   12.63
_cell_volume                     473.360
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            leFur_ACBCAR_1972_1974.cif
_cod_data_source_block           Be2F5Tl1
_cod_original_cell_volume        473.3598
_cod_original_formula_sum        'Be2 F5 Tl1'
_cod_database_code               2107056
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
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
Tl2 Tl+1 0.5 0.5 0 1 0.0
F1 F-1 0 0.45 0.25 1 0.0
F3 F-1 0.197 0.885 0.234 1 0.0
F2 F-1 0.5 0.922 0.25 1 0.0
Tl1 Tl+1 0 0 0 1 0.0
F4 F-1 0.69 0.325 0.224 1 0.0
Be2 Be+2 0.66 0.968 0.199 1 0.0
Be1 Be+2 0.176 0.472 0.213 1 0.0
F6 F-1 0.683 0.991 0.089 1 0.0
F5 F-1 0.184 0.58 0.09 1 0.0
