The compound described by Ba(GdTe2)2 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent Te(1), two equivalent Te(2), two equivalent Te(3), and two equivalent Te(4) atoms. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to one Te(2), two equivalent Te(4), and three equivalent Te(3) atoms to form a mixture of corner and edge-sharing GdTe6 octahedra. The corner-sharing octahedral tilt angles range from 47-60°. In the second Gd site, Gd(2) is bonded to one Te(4), two equivalent Te(2), and three equivalent Te(1) atoms to form a mixture of corner and edge-sharing GdTe6 octahedra. The corner-sharing octahedral tilt angles range from 47-60°. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Ba(1) and three equivalent Gd(2) atoms to form a mixture of distorted corner and edge-sharing TeBa2Gd3 trigonal bipyramids. In the second Te site, Te(2) is bonded to two equivalent Ba(1), one Gd(1), and two equivalent Gd(2) atoms to form a mixture of distorted corner and edge-sharing TeBa2Gd3 trigonal bipyramids. In the third Te site, Te(3) is bonded to two equivalent Ba(1) and three equivalent Gd(1) atoms to form a mixture of corner and edge-sharing TeBa2Gd3 square pyramids. In the fourth Te site, Te(4) is bonded to two equivalent Ba(1), one Gd(2), and two equivalent Gd(1) atoms to form a mixture of distorted corner and edge-sharing TeBa2Gd3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba(GdTe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.530
_cell_length_b   13.846
_cell_length_c   16.415
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1029.566
_cell_formula_units_Z   4
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  0.250  0.240  0.332  1.0
  Ba  Ba1  1  0.250  0.740  0.168  1.0
  Ba  Ba2  1  0.750  0.760  0.668  1.0
  Ba  Ba3  1  0.750  0.260  0.832  1.0
  Gd  Gd4  1  0.250  0.081  0.597  1.0
  Gd  Gd5  1  0.250  0.581  0.903  1.0
  Gd  Gd6  1  0.750  0.919  0.403  1.0
  Gd  Gd7  1  0.750  0.419  0.097  1.0
  Gd  Gd8  1  0.250  0.562  0.390  1.0
  Gd  Gd9  1  0.250  0.062  0.110  1.0
  Gd  Gd10  1  0.750  0.438  0.610  1.0
  Gd  Gd11  1  0.750  0.938  0.890  1.0
  Te  Te12  1  0.250  0.088  0.923  1.0
  Te  Te13  1  0.250  0.588  0.577  1.0
  Te  Te14  1  0.750  0.912  0.077  1.0
  Te  Te15  1  0.750  0.412  0.423  1.0
  Te  Te16  1  0.250  0.295  0.664  1.0
  Te  Te17  1  0.250  0.795  0.836  1.0
  Te  Te18  1  0.750  0.705  0.336  1.0
  Te  Te19  1  0.750  0.205  0.164  1.0
  Te  Te20  1  0.250  0.372  0.972  1.0
  Te  Te21  1  0.250  0.872  0.528  1.0
  Te  Te22  1  0.750  0.628  0.028  1.0
  Te  Te23  1  0.750  0.128  0.472  1.0
  Te  Te24  1  0.250  0.474  0.216  1.0
  Te  Te25  1  0.250  0.974  0.284  1.0
  Te  Te26  1  0.750  0.526  0.784  1.0
  Te  Te27  1  0.750  0.026  0.716  1.0
[/CIF]
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The compound described by Ba(GdTe2)2 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent Te(1), two equivalent Te(2), two equivalent Te(3), and two equivalent Te(4) atoms. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to one Te(2), two equivalent Te(4), and three equivalent Te(3) atoms to form a mixture of corner and edge-sharing GdTe6 octahedra. The corner-sharing octahedral tilt angles range from 47-60°. In the second Gd site, Gd(2) is bonded to one Te(4), two equivalent Te(2), and three equivalent Te(1) atoms to form a mixture of corner and edge-sharing GdTe6 octahedra. The corner-sharing octahedral tilt angles range from 47-60°. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Ba(1) and three equivalent Gd(2) atoms to form a mixture of distorted corner and edge-sharing TeBa2Gd3 trigonal bipyramids. In the second Te site, Te(2) is bonded to two equivalent Ba(1), one Gd(1), and two equivalent Gd(2) atoms to form a mixture of distorted corner and edge-sharing TeBa2Gd3 trigonal bipyramids. In the third Te site, Te(3) is bonded to two equivalent Ba(1) and three equivalent Gd(1) atoms to form a mixture of corner and edge-sharing TeBa2Gd3 square pyramids. In the fourth Te site, Te(4) is bonded to two equivalent Ba(1), one Gd(2), and two equivalent Gd(1) atoms to form a mixture of distorted corner and edge-sharing TeBa2Gd3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba(GdTe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.530
_cell_length_b   13.846
_cell_length_c   16.415
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1029.566
_cell_formula_units_Z   4
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  0.250  0.240  0.332  1.0
  Ba  Ba1  1  0.250  0.740  0.168  1.0
  Ba  Ba2  1  0.750  0.760  0.668  1.0
  Ba  Ba3  1  0.750  0.260  0.832  1.0
  Gd  Gd4  1  0.250  0.081  0.597  1.0
  Gd  Gd5  1  0.250  0.581  0.903  1.0
  Gd  Gd6  1  0.750  0.919  0.403  1.0
  Gd  Gd7  1  0.750  0.419  0.097  1.0
  Gd  Gd8  1  0.250  0.562  0.390  1.0
  Gd  Gd9  1  0.250  0.062  0.110  1.0
  Gd  Gd10  1  0.750  0.438  0.610  1.0
  Gd  Gd11  1  0.750  0.938  0.890  1.0
  Te  Te12  1  0.250  0.088  0.923  1.0
  Te  Te13  1  0.250  0.588  0.577  1.0
  Te  Te14  1  0.750  0.912  0.077  1.0
  Te  Te15  1  0.750  0.412  0.423  1.0
  Te  Te16  1  0.250  0.295  0.664  1.0
  Te  Te17  1  0.250  0.795  0.836  1.0
  Te  Te18  1  0.750  0.705  0.336  1.0
  Te  Te19  1  0.750  0.205  0.164  1.0
  Te  Te20  1  0.250  0.372  0.972  1.0
  Te  Te21  1  0.250  0.872  0.528  1.0
  Te  Te22  1  0.750  0.628  0.028  1.0
  Te  Te23  1  0.750  0.128  0.472  1.0
  Te  Te24  1  0.250  0.474  0.216  1.0
  Te  Te25  1  0.250  0.974  0.284  1.0
  Te  Te26  1  0.750  0.526  0.784  1.0
  Te  Te27  1  0.750  0.026  0.716  1.0
[/CIF]
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