#------------------------------------------------------------------------------
#$Date: 2016-02-14 05:40:26 +0100 (dom 14 de feb de 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/10/1511066.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_1511066
loop_
_publ_author_name
'Rundqvist, S.'
_publ_section_title
;
 Crystal structure of Ni3 B and Co3 B
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              658
_journal_page_last               662
_journal_paper_doi               10.3891/acta.chem.scand.12-0658
_journal_volume                  12
_journal_year                    1958
_chemical_formula_sum            'B Co3'
_chemical_name_systematic        'Co3 B'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.408
_cell_length_b                   5.225
_cell_length_c                   5.211
_cell_volume                     120.019
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            boron0-1_158.cif
_cod_data_source_block           B1Co3
_cod_original_cell_volume        120.0187
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'B1 Co3'
_cod_database_code               1511066
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z-1/2
x,y,-z-1/2
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
B1 B 0.43 0.89 0.25 1 0.0
Co2 Co -0.134 0.028 0.25 1 0.0
Co1 Co 0.347 0.178 0.061 1 0.0
