#------------------------------------------------------------------------------
#$Date: 2016-02-18 16:37:37 +0100 (jue 18 de feb de 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/08/1510858.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_1510858
loop_
_publ_author_name
'Hubbard, C.R.'
'Rawn, C.J.'
'Hoffmann, C.M.'
'Schneibel, J.H.'
_publ_section_title
;
 The crystal structure and thermal expansion of Mo5 Si B2
;
_journal_name_full               Intermetallics
_journal_page_first              209
_journal_page_last               216
_journal_paper_doi               10.1016/S0966-9795(00)00113-8
_journal_volume                  9
_journal_year                    2001
_chemical_formula_sum            'B2.11 Mo5 Si0.89'
_chemical_name_systematic        'Mo5 (Si0.89 B0.11) B2'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.068
_cell_length_b                   6.068
_cell_length_c                   11.1353
_cell_volume                     410.009
_citation_journal_id_ASTM        IERME5
_cod_data_source_file            boron_366.cif
_cod_data_source_block           B2.11Mo5Si0.89
_cod_original_cell_volume        410.0087
_cod_database_code               1510858
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z+1/2
y,x,-z+1/2
-x,y,-z+1/2
-y,-x,-z+1/2
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z-1/2
-y,-x,z-1/2
x,-y,z-1/2
y,x,z-1/2
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1
y+1/2,x+1/2,-z+1
-x+1/2,y+1/2,-z+1
-y+1/2,-x+1/2,-z+1
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z
-y+1/2,-x+1/2,z
x+1/2,-y+1/2,z
y+1/2,x+1/2,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
B2 B 0.3772 0.8772 0 1 0.0
Mo1 Mo 0 0 0 1 0.0
B1 B 0 0 0.25 0.11 0.0
Si1 Si 0 0 0.25 0.89 0.0
Mo2 Mo 0.1638 0.6638 0.1403 1 0.0
