data_8103483
_publ_section_title
;
 Darstellung der ternaeren boride Sr Ni12 B6 und Ba Ni12 B6
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              121
_journal_page_last               128
_journal_volume                  151
_journal_year                    1980
_chemical_formula_sum            'B6 Ba Ni12'
_chemical_name_systematic        'Ba Ni12 B6'
_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                   9.689
_cell_length_b                   9.689
_cell_length_c                   7.47
_cell_volume                     607.308
_citation_journal_id_ASTM        ZEKRDZ
_[local]_cod_data_source_file    boron4-x_211.cif
_[local]_cod_data_source_block   B6Ba1Ni12
_[local]_cod_chemical_formula_sum_orig 'B6 Ba1 Ni12'
_cod_original_cell_volume        607.3082
_cod_database_code               8103483
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
Ni1 Ni 0.3673 0 0.5 1 0.0
Ba1 Ba 0 0 0 1 0.0
B1 B 0.193 -0.193 0.0377 1 0.0
Ni2 Ni 0.4254 -0.4254 0.0387 1 0.0
