#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/84/1528459.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_1528459
loop_
_publ_author_name
'Edwards, A.J.'
'Jones, G.R.'
_publ_section_title
;
 Fluoride crystal structures. Part III. Rhenium oxide tetrafluoride
;
_journal_name_full
;
Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)
;
_journal_page_first              2511
_journal_page_last               2515
_journal_volume                  1968
_journal_year                    1968
_chemical_formula_sum            'F4 O Re'
_chemical_name_systematic        'Re O F4'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 114
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   19.01
_cell_length_b                   5.57
_cell_length_c                   14.72
_cell_volume                     1423.886
_citation_journal_id_ASTM        JCSIAP
_cod_data_source_file            Edwards_JCSIAP_1968_327.cif
_cod_data_source_block           F4O1Re1
_cod_original_formula_sum        'F4 O1 Re1'
_cod_database_code               1528459
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
F6 F-1 0.0038 0.3624 0.1106 1 0.0
F7 F-1 0.1283 0.1405 0.1192 1 0.0
F4 F-1 0.0818 0.6232 0.2706 1 0.0
F5 F-1 0.2072 0.3767 0.2879 1 0.0
F1 F-1 0.1668 0.6265 0.4599 1 0.0
F8 F-1 0.0803 0.1316 0.2766 1 0.0
Re2 Re+6 0.1108 0.4106 0.1823 1 0.0
O2 O-2 0.134 0.6217 0.1184 1 0.0
F2 F-1 0.2049 0.8605 0.332 1 0.0
Re1 Re+6 0.1357 0.9095 0.3895 1 0.0
F3 F-1 0.0397 0.8571 0.3892 1 0.0
O1 O-2 0.1716 0.1053 0.4785 1 0.0
