data_1510953
_publ_section_title
;
 The crystal structure of Ru7 B3
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              109
_journal_page_last               114
_journal_paper_doi               10.3891/acta.chem.scand.13-0109
_journal_volume                  13
_journal_year                    1959
_chemical_formula_sum            'B3 Ru7'
_chemical_name_systematic        'Ru7 B3'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   7.467
_cell_length_b                   7.467
_cell_length_c                   4.71
_cell_volume                     227.428
_citation_journal_id_ASTM        ACSAA4
_[local]_cod_data_source_file    boron_486.cif
_[local]_cod_data_source_block   B3Ru7
_cod_original_cell_volume        227.4279
_cod_database_code               1510953
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
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
Ru3 Ru 0.3333 0.6667 0.068 1 0.0
B1 B 0.813 0.187 0.33 1 0.0
Ru1 Ru 0.5437 0.4563 0.068 1 0.0
Ru2 Ru 0.1219 -0.1219 0.25 1 0.0
