The structure described by Yb(InSe2)2 crystallizes in the orthorhombic Cccm space group. Yb(1) is bonded in a 8-coordinate geometry to four equivalent Se(1) and four equivalent Se(2) atoms. In(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form edge-sharing InSe4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(2) is bonded to two equivalent Yb(1) and two equivalent In(1) atoms to form a mixture of distorted corner and edge-sharing SeYb2In2 trigonal pyramids. In the second Se site, Se(1) is bonded to two equivalent Yb(1) and two equivalent In(1) atoms to form a mixture of corner and edge-sharing SeYb2In2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb(InSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.347
_cell_length_b   6.347
_cell_length_c   10.764
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   114.785
_symmetry_Int_Tables_number   1
_cell_volume   393.640
_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
  Yb  Yb0  1  0.500  0.500  0.250  1.0
  Yb  Yb1  1  0.500  0.500  0.750  1.0
  In  In2  1  0.772  0.223  0.500  1.0
  In  In3  1  0.228  0.777  0.500  1.0
  In  In4  1  0.777  0.228  0.000  1.0
  In  In5  1  0.223  0.772  0.000  1.0
  Se  Se6  1  0.780  0.649  0.500  1.0
  Se  Se7  1  0.220  0.351  0.500  1.0
  Se  Se8  1  0.351  0.220  0.000  1.0
  Se  Se9  1  0.649  0.780  0.000  1.0
  Se  Se10  1  0.000  0.500  0.187  1.0
  Se  Se11  1  0.500  0.000  0.313  1.0
  Se  Se12  1  0.000  0.500  0.813  1.0
  Se  Se13  1  0.500  0.000  0.687  1.0
[/CIF]
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The structure described by Yb(InSe2)2 crystallizes in the orthorhombic Cccm space group. Yb(1) is bonded in a 8-coordinate geometry to four equivalent Se(1) and four equivalent Se(2) atoms. In(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form edge-sharing InSe4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(2) is bonded to two equivalent Yb(1) and two equivalent In(1) atoms to form a mixture of distorted corner and edge-sharing SeYb2In2 trigonal pyramids. In the second Se site, Se(1) is bonded to two equivalent Yb(1) and two equivalent In(1) atoms to form a mixture of corner and edge-sharing SeYb2In2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb(InSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.347
_cell_length_b   6.347
_cell_length_c   10.764
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   114.785
_symmetry_Int_Tables_number   1
_cell_volume   393.640
_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
  Yb  Yb0  1  0.500  0.500  0.250  1.0
  Yb  Yb1  1  0.500  0.500  0.750  1.0
  In  In2  1  0.772  0.223  0.500  1.0
  In  In3  1  0.228  0.777  0.500  1.0
  In  In4  1  0.777  0.228  0.000  1.0
  In  In5  1  0.223  0.772  0.000  1.0
  Se  Se6  1  0.780  0.649  0.500  1.0
  Se  Se7  1  0.220  0.351  0.500  1.0
  Se  Se8  1  0.351  0.220  0.000  1.0
  Se  Se9  1  0.649  0.780  0.000  1.0
  Se  Se10  1  0.000  0.500  0.187  1.0
  Se  Se11  1  0.500  0.000  0.313  1.0
  Se  Se12  1  0.000  0.500  0.813  1.0
  Se  Se13  1  0.500  0.000  0.687  1.0
[/CIF]
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