#------------------------------------------------------------------------------
#$Date: 2016-02-21 11:56:54 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176809 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/00/2310086.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_2310086
loop_
_publ_author_name
'Beattie, H.J.jr.'
_publ_section_title
;
 The crystal structure of an M3 B2 double boride
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              607
_journal_page_last               609
_journal_paper_doi               10.1107/S0365110X58001626
_journal_volume                  11
_journal_year                    1958
_chemical_formula_sum            'B2 Cr0.64 Fe0.43 Mo1.08 Ni0.21 Ti0.64'
_chemical_name_systematic        'Cr0.64 Fe0.43 Mo1.08 Ni0.21 Ti0.64 B2'
_space_group_IT_number           127
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.783
_cell_length_b                   5.783
_cell_length_c                   3.134
_cell_volume                     104.811
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            boron_123.cif
_cod_data_source_block           B2Cr0.64Fe0.43Mo1.08Ni0.21Ti0.64
_cod_original_cell_volume        104.8106
_cod_database_code               2310086
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
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
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-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
Ti2 Ti 0.183 0.683 0 0.213 0.0
Mo2 Mo 0.183 0.683 0 0.36 0.0
Ni2 Ni 0.183 0.683 0 0.07 0.0
Mo1 Mo 0 0 0.5 0.36 0.0
Fe2 Fe 0.183 0.683 0 0.144 0.0
Ni1 Ni 0 0 0.5 0.07 0.0
Fe1 Fe 0 0 0.5 0.144 0.0
Cr1 Cr 0 0 0.5 0.213 0.0
B1 B 0.394 0.894 0.5 1 0.0
Cr2 Cr 0.183 0.683 0 0.213 0.0
Ti1 Ti 0 0 0.5 0.213 0.0
