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#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/15/1511521.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_1511521
loop_
_publ_author_name
'Kwei, G.H.'
'Morosin, B.'
'Lawson, A.C.jr.'
'Klesnar, H.'
'Aselage, T.L.'
_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            'B4.026 Mo2'
_chemical_name_systematic        'Mo2 B4.026'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   3.0099
_cell_length_b                   3.0099
_cell_length_c                   20.927
_cell_volume                     164.188
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            boron4-x_154.cif
_cod_data_source_block           B4.026Mo2
_cod_original_cell_volume        164.1881
_cod_database_code               1511521
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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 0.0756 1 0.0
B1 B 0 0 0.3323 1 0.0
B2 B 0 0 0.1817 1 0.0
B3 B 0 0 0.5 0.026 0.0
