The material structure described by Ba(InTe2)2 crystallizes in the orthorhombic Cccm space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent Te(1) and four equivalent Te(2) atoms. In(1) is bonded to two equivalent Te(1) and two equivalent Te(2) atoms to form edge-sharing InTe4 tetrahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Ba(1) and two equivalent In(1) atoms to form a mixture of distorted edge and corner-sharing TeBa2In2 trigonal pyramids. In the second Te site, Te(2) is bonded to two equivalent Ba(1) and two equivalent In(1) atoms to form a mixture of edge and corner-sharing TeBa2In2 trigonal pyramids. is represented by the CIF file [CIF]
data_Ba(InTe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.125
_cell_length_b   7.125
_cell_length_c   12.376
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.980
_symmetry_Int_Tables_number   1
_cell_volume   549.639
_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  0.500  0.500  0.250  1.0
  Ba  Ba1  1  0.500  0.500  0.750  1.0
  In  In2  1  0.240  0.763  0.500  1.0
  In  In3  1  0.760  0.237  0.500  1.0
  In  In4  1  0.237  0.760  0.000  1.0
  In  In5  1  0.763  0.240  0.000  1.0
  Te  Te6  1  0.500  0.000  0.324  1.0
  Te  Te7  1  0.000  0.500  0.176  1.0
  Te  Te8  1  0.658  0.807  0.000  1.0
  Te  Te9  1  0.342  0.193  0.000  1.0
  Te  Te10  1  0.807  0.658  0.500  1.0
  Te  Te11  1  0.193  0.342  0.500  1.0
  Te  Te12  1  0.500  0.000  0.676  1.0
  Te  Te13  1  0.000  0.500  0.824  1.0
[/CIF]
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The material structure described by Ba(InTe2)2 crystallizes in the orthorhombic Cccm space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent Te(1) and four equivalent Te(2) atoms. In(1) is bonded to two equivalent Te(1) and two equivalent Te(2) atoms to form edge-sharing InTe4 tetrahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Ba(1) and two equivalent In(1) atoms to form a mixture of distorted edge and corner-sharing TeBa2In2 trigonal pyramids. In the second Te site, Te(2) is bonded to two equivalent Ba(1) and two equivalent In(1) atoms to form a mixture of edge and corner-sharing TeBa2In2 trigonal pyramids. is represented by the CIF file [CIF]
data_Ba(InTe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.125
_cell_length_b   7.125
_cell_length_c   12.376
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.980
_symmetry_Int_Tables_number   1
_cell_volume   549.639
_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  0.500  0.500  0.250  1.0
  Ba  Ba1  1  0.500  0.500  0.750  1.0
  In  In2  1  0.240  0.763  0.500  1.0
  In  In3  1  0.760  0.237  0.500  1.0
  In  In4  1  0.237  0.760  0.000  1.0
  In  In5  1  0.763  0.240  0.000  1.0
  Te  Te6  1  0.500  0.000  0.324  1.0
  Te  Te7  1  0.000  0.500  0.176  1.0
  Te  Te8  1  0.658  0.807  0.000  1.0
  Te  Te9  1  0.342  0.193  0.000  1.0
  Te  Te10  1  0.807  0.658  0.500  1.0
  Te  Te11  1  0.193  0.342  0.500  1.0
  Te  Te12  1  0.500  0.000  0.676  1.0
  Te  Te13  1  0.000  0.500  0.824  1.0
[/CIF]
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