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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/4/12/46/4124659.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_4124659
loop_
_publ_author_name
'la Valle, D.E.'
'Steele, R.M.'
'Wilkinson, M.K.'
'Yakel, H.L.jr.'
_publ_section_title
;
 The preparation and crystal structure of molybdenum(III) fluoride
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2433
_journal_page_last               2434
_journal_volume                  82
_journal_year                    1960
_chemical_formula_sum            'F3 Mo'
_chemical_name_systematic        'Mo F3'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-P 3* 2n'
_symmetry_space_group_name_H-M   'R -3 c :R'
_cell_angle_alpha                54.72
_cell_angle_beta                 54.72
_cell_angle_gamma                54.72
_cell_formula_units_Z            2
_cell_length_a                   5.666
_cell_length_b                   5.666
_cell_length_c                   5.666
_cell_volume                     112.803
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            laValle_JACSAT_1960_1465.cif
_cod_data_source_block           F3Mo1
_cod_original_cell_volume        112.8028
_cod_original_sg_symbol_Hall     '-R 3 2"c (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'F3 Mo1'
_cod_database_code               4124659
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
-y+1/2,-x+1/2,-z+1/2
-z+1/2,-y+1/2,-x+1/2
-x+1/2,-z+1/2,-y+1/2
-x,-y,-z
-z,-x,-y
-y,-z,-x
y-1/2,x-1/2,z-1/2
z-1/2,y-1/2,x-1/2
x-1/2,z-1/2,y-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
F1 F-1 -0.12 0.62 0.25 1 0.0
Mo1 Mo+3 0 0 0 1 0.0
