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#$Date: 2016-02-18 16:37:37 +0100 (Thu 18 de Feb de 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/09/1510935.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_1510935
loop_
_publ_author_name
'Aselage, T.L.'
'Morosin, B.'
'Kwei, G.H.'
'Lawson, A.C.jr.'
'Klesnar, H.'
_publ_section_title
;
 The diboride compounds of molybdenum: Mo B2-x and Mo2 B5-y
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              180
_journal_page_last               186
_journal_paper_doi               10.1016/0925-8388(96)02294-3
_journal_volume                  241
_journal_year                    1996
_chemical_formula_sum            'B3 Mo0.91'
_chemical_name_systematic        'Mo0.91 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                   5.2646
_cell_length_b                   5.2646
_cell_length_c                   6.121
_cell_volume                     146.921
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            boron_464.cif
_cod_data_source_block           B3Mo0.91
_cod_original_cell_volume        146.9209
_cod_database_code               1510935
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
Mo1 Mo 0 0 0.25 0.82 0.0
B1 B 0.33 0 0 1 0.0
Mo2 Mo 0.3333 0.6667 0.25 1 0.0
