#------------------------------------------------------------------------------
#$Date: 2015-07-13 04:37:21 +0200 (Mon 13 de Jul de 2015) $
#$Revision: 149475 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/77/1527745.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_1527745
loop_
_publ_author_name
'Lundstroem, T.'
'Rosenberg, I.'
_publ_section_title
;
 The Crystal Structure of the Molybdenum Boride M=Mo(1-X) B3
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              299
_journal_page_last               305
_journal_volume                  6
_journal_year                    1973
_chemical_formula_sum            'B3 Mo0.8'
_chemical_name_systematic        'Mo0.8 B3'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   5.2026
_cell_length_b                   5.2026
_cell_length_c                   6.3489
_cell_volume                     148.823
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Lundstroem_JSSCBI_1973_1992.cif
_cod_data_source_block           B3Mo0.8
_cod_database_code               1527745
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
x,x-y,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 0.3333 0.6667 0.25 1 0.0
B1 B 0.333 0 0 1 0.0
Mo1 Mo 0 0 0.25 0.6 0.0
