#------------------------------------------------------------------------------
#$Date: 2016-04-12 19:30:58 +0200 (Tue 12 de Apr de 2016) $
#$Revision: 182023 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/90/1009058.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_1009058
loop_
_publ_author_name
'Bertaut, E. F.'
'Blum, P.'
_publ_section_title
;
 Existence et structure d'une nouvelle phase dans le systeme Mo-B
;
_journal_coden_ASTM              ACCRA9
_journal_issue                   1
_journal_name_full               'Acta Crystallographica'
_journal_page_first              72
_journal_page_last               72
_journal_paper_doi               10.1107/s0365110x51000180
_journal_volume                  4
_journal_year                    1951
_chemical_formula_structural     'Mo B2'
_chemical_formula_sum            'B2 Mo'
_chemical_name_systematic        'Molybdenum boride'
_space_group_IT_number           191
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.05
_cell_length_b                   3.05
_cell_length_c                   3.113
_cell_volume                     25.1
_cod_database_code               1009058
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
y,x,z
x-y,-y,z
-x,y-x,z
-x,-y,z
y,y-x,z
x-y,x,z
-y,-x,z
y-x,y,z
x,x-y,z
-x,-y,-z
y,y-x,-z
x-y,x,-z
-y,-x,-z
y-x,y,-z
x,x-y,-z
x,y,-z
-y,x-y,-z
y-x,-x,-z
y,x,-z
x-y,-y,-z
-x,y-x,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Mo1 Mo6+ 1 a 0. 0. 0. 1. 0 d
B1 B3- 2 d 0.3333 0.6667 0.5 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Mo6+ 6.000
B3- -3.000
