The compound described by BaCoSe2 crystallizes in the tetragonal I-4m2 space group. Ba(1) is bonded in a 14-coordinate geometry to four equivalent Co(1) and ten equivalent Se(1) atoms. Co(1) is bonded in a 4-coordinate geometry to four equivalent Ba(1) and four equivalent Se(1) atoms. Se(1) is bonded in a distorted bent 120 degrees geometry to five equivalent Ba(1) and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_BaCoSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.200
_cell_length_b   4.200
_cell_length_c   6.312
_cell_angle_alpha   109.430
_cell_angle_beta   109.430
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   98.240
_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  0.000  0.000  0.000  1.0
  Co  Co1  1  0.250  0.750  0.500  1.0
  Se  Se2  1  0.659  0.659  0.317  1.0
  Se  Se3  1  0.341  0.341  0.683  1.0
[/CIF]
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The compound described by BaCoSe2 crystallizes in the tetragonal I-4m2 space group. Ba(1) is bonded in a 14-coordinate geometry to four equivalent Co(1) and ten equivalent Se(1) atoms. Co(1) is bonded in a 4-coordinate geometry to four equivalent Ba(1) and four equivalent Se(1) atoms. Se(1) is bonded in a distorted bent 120 degrees geometry to five equivalent Ba(1) and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_BaCoSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.200
_cell_length_b   4.200
_cell_length_c   6.312
_cell_angle_alpha   109.430
_cell_angle_beta   109.430
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   98.240
_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  0.000  0.000  0.000  1.0
  Co  Co1  1  0.250  0.750  0.500  1.0
  Se  Se2  1  0.659  0.659  0.317  1.0
  Se  Se3  1  0.341  0.341  0.683  1.0
[/CIF]
.