The compound described by BaSe2 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded to eight equivalent Se(1) atoms to form a mixture of corner and edge-sharing BaSe8 hexagonal bipyramids. Se(1) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.988
_cell_length_b   5.501
_cell_length_c   8.732
_cell_angle_alpha   79.487
_cell_angle_beta   73.405
_cell_angle_gamma   63.041
_symmetry_Int_Tables_number   1
_cell_volume   204.266
_cell_formula_units_Z   2
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  0.128  0.250  0.750  1.0
  Ba  Ba1  1  0.872  0.750  0.250  1.0
  Se  Se2  1  0.473  0.287  0.025  1.0
  Se  Se3  1  0.785  0.213  0.475  1.0
  Se  Se4  1  0.215  0.787  0.525  1.0
  Se  Se5  1  0.527  0.713  0.975  1.0
[/CIF]
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The compound described by BaSe2 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded to eight equivalent Se(1) atoms to form a mixture of corner and edge-sharing BaSe8 hexagonal bipyramids. Se(1) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.988
_cell_length_b   5.501
_cell_length_c   8.732
_cell_angle_alpha   79.487
_cell_angle_beta   73.405
_cell_angle_gamma   63.041
_symmetry_Int_Tables_number   1
_cell_volume   204.266
_cell_formula_units_Z   2
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  0.128  0.250  0.750  1.0
  Ba  Ba1  1  0.872  0.750  0.250  1.0
  Se  Se2  1  0.473  0.287  0.025  1.0
  Se  Se3  1  0.785  0.213  0.475  1.0
  Se  Se4  1  0.215  0.787  0.525  1.0
  Se  Se5  1  0.527  0.713  0.975  1.0
[/CIF]
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