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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/1/52/84/1528460.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_1528460
loop_
_publ_author_name
'Edwards, A.J.'
'Steventon, B.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              2503
_journal_page_last               2510
_journal_volume                  1968
_journal_year                    1968
_chemical_formula_sum            'F4 Mo O'
_chemical_name_systematic        'Mo O F4'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.7
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.5
_cell_length_b                   16.98
_cell_length_c                   7.84
_cell_volume                     731.855
_citation_journal_id_ASTM        JCSIAP
_cod_data_source_file            Edwards_JCSIAP_1968_328.cif
_cod_data_source_block           F4Mo1O1
_cod_original_cell_volume        731.8553
_cod_original_formula_sum        'F4 Mo1 O1'
_cod_database_code               1528460
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
F8 F-1 0.4985 0.158 0.1851 1 0.0
F3 F-1 0.5696 0.0865 0.4811 1 0.0
F4 F-1 0.0023 0.151 0.2543 1 0.0
F5 F-1 0.7896 0.2477 0.037 1 0.0
F1 F-1 0.2975 0.216 0.4628 1 0.0
Mo1 Mo+6 0.2663 0.1123 0.3989 1 0.0
F7 F-1 0.0359 0.1276 -0.0848 1 0.0
F6 F-1 0.742 0.0392 0.095 1 0.0
Mo2 Mo+6 0.7479 0.1412 0.0158 1 0.0
F2 F-1 0.2566 0.0278 0.2565 1 0.0
O1 O-2 0.1034 0.0794 0.5573 1 0.0
O2 O-2 0.5692 0.1368 -0.152 1 0.0
