data_BaCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   147.85
_cell_angle_beta   147.85
_cell_angle_gamma   46.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCo2
_chemical_formula_sum   'Ba1 Co2'
_cell_volume   61.86
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.0  0.0  0.98  1.0
  Co  Co2  1  0.0  0.0  0.12  1.0

data_BaCo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   113.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaCo2
_chemical_formula_sum   'Ba2 Co4'
_cell_volume   123.71
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  2  0.0  0.0  0.0  1.0
  Co  Co1  2  0.0  0.0  0.02  1.0
  Co  Co2  2  0.0  0.0  0.88  1.0

Ba Co Co
Ba Co Co 0 1 o o - 0 2 o o o 1 2 o o + 
BaCo2 is Cyanogen Chloride-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BaCo2 clusters. Ba(1) is bonded in a linear geometry to one Co(1) and one Co(2) atom. The Ba(1)-Co(1) bond length is 0.14 Å. The Ba(1)-Co(2) bond length is 0.73 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a single-bond geometry to one Ba(1) atom. In the second Co site, Co(2) is bonded in a single-bond geometry to one Ba(1) atom.