#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/59/1535945.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_1535945
loop_
_publ_author_name
'Edwards, A.J.'
'Small, R.W.H.'
'Peacock, R.D.'
_publ_section_title
;
 The preparation and structure of molybdenum pentafluoride
;
_journal_name_full               'Journal of the Chemical Society'
_journal_page_first              4486
_journal_page_last               4491
_journal_volume                  1962
_journal_year                    1962
_chemical_formula_sum            'F5 Mo'
_chemical_name_systematic        'Mo F5'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.35
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.61
_cell_length_b                   14.22
_cell_length_c                   5.16
_cell_volume                     703.104
_citation_journal_id_ASTM        JCSOA9
_cod_data_source_file            Edwards_JCSOA9_1962_1477.cif
_cod_data_source_block           F5Mo1
_cod_original_cell_volume        703.1044
_cod_original_formula_sum        'F5 Mo1'
_cod_database_code               1535945
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z
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
Mo2 Mo+5 0.262 0 0.745 1 0.0
F4 F-1 0.128 0.103 0.871 1 0.0
F5 F-1 -0.109 0.188 0.7 1 0.0
F6 F-1 0.128 0.29 0.871 1 0.0
Mo1 Mo+5 0 0.204 0 1 0.0
F1 F-1 0.135 0 0.5 1 0.0
F3 F-1 0.36 0.091 0.627 1 0.0
F2 F-1 0.383 0 0.97 1 0.0
