The crystal structure described by Ba(ErTe2)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 Er sites. In the first Er site, Er(1) is bonded to one Te(3), two equivalent Te(1), and three equivalent Te(2) atoms to form a mixture of edge and corner-sharing ErTe6 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. In the second Er site, Er(2) is bonded to one Te(1), two equivalent Te(3), and three equivalent Te(4) atoms to form a mixture of edge and corner-sharing ErTe6 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Ba(1), one Er(2), and two equivalent Er(1) atoms to form a mixture of distorted edge and corner-sharing TeBa2Er3 trigonal bipyramids. In the second Te site, Te(2) is bonded to two equivalent Ba(1) and three equivalent Er(1) atoms to form a mixture of edge and corner-sharing TeBa2Er3 square pyramids. In the third Te site, Te(3) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Er(1), and two equivalent Er(2) atoms. In the fourth Te site, Te(4) is bonded to two equivalent Ba(1) and three equivalent Er(2) atoms to form a mixture of distorted edge and corner-sharing TeBa2Er3 trigonal bipyramids. is represented by the CIF card [CIF]
data_Ba(ErTe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.452
_cell_length_b   13.744
_cell_length_c   16.173
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   989.666
_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  0.750  0.261  0.830  1.0
  Ba  Ba1  1  0.250  0.739  0.170  1.0
  Ba  Ba2  1  0.750  0.761  0.670  1.0
  Ba  Ba3  1  0.250  0.239  0.330  1.0
  Er  Er4  1  0.250  0.081  0.597  1.0
  Er  Er5  1  0.750  0.919  0.403  1.0
  Er  Er6  1  0.250  0.581  0.903  1.0
  Er  Er7  1  0.750  0.419  0.097  1.0
  Er  Er8  1  0.750  0.941  0.890  1.0
  Er  Er9  1  0.250  0.059  0.110  1.0
  Er  Er10  1  0.750  0.441  0.610  1.0
  Er  Er11  1  0.250  0.559  0.390  1.0
  Te  Te12  1  0.250  0.472  0.216  1.0
  Te  Te13  1  0.750  0.528  0.784  1.0
  Te  Te14  1  0.250  0.972  0.284  1.0
  Te  Te15  1  0.750  0.028  0.716  1.0
  Te  Te16  1  0.250  0.375  0.972  1.0
  Te  Te17  1  0.750  0.625  0.028  1.0
  Te  Te18  1  0.250  0.875  0.528  1.0
  Te  Te19  1  0.750  0.125  0.472  1.0
  Te  Te20  1  0.250  0.296  0.658  1.0
  Te  Te21  1  0.750  0.704  0.342  1.0
  Te  Te22  1  0.250  0.796  0.842  1.0
  Te  Te23  1  0.750  0.204  0.158  1.0
  Te  Te24  1  0.750  0.411  0.425  1.0
  Te  Te25  1  0.250  0.589  0.575  1.0
  Te  Te26  1  0.750  0.911  0.075  1.0
  Te  Te27  1  0.250  0.089  0.925  1.0
[/CIF]
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The crystal structure described by Ba(ErTe2)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 Er sites. In the first Er site, Er(1) is bonded to one Te(3), two equivalent Te(1), and three equivalent Te(2) atoms to form a mixture of edge and corner-sharing ErTe6 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. In the second Er site, Er(2) is bonded to one Te(1), two equivalent Te(3), and three equivalent Te(4) atoms to form a mixture of edge and corner-sharing ErTe6 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Ba(1), one Er(2), and two equivalent Er(1) atoms to form a mixture of distorted edge and corner-sharing TeBa2Er3 trigonal bipyramids. In the second Te site, Te(2) is bonded to two equivalent Ba(1) and three equivalent Er(1) atoms to form a mixture of edge and corner-sharing TeBa2Er3 square pyramids. In the third Te site, Te(3) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Er(1), and two equivalent Er(2) atoms. In the fourth Te site, Te(4) is bonded to two equivalent Ba(1) and three equivalent Er(2) atoms to form a mixture of distorted edge and corner-sharing TeBa2Er3 trigonal bipyramids. is represented by the CIF card [CIF]
data_Ba(ErTe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.452
_cell_length_b   13.744
_cell_length_c   16.173
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   989.666
_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  0.750  0.261  0.830  1.0
  Ba  Ba1  1  0.250  0.739  0.170  1.0
  Ba  Ba2  1  0.750  0.761  0.670  1.0
  Ba  Ba3  1  0.250  0.239  0.330  1.0
  Er  Er4  1  0.250  0.081  0.597  1.0
  Er  Er5  1  0.750  0.919  0.403  1.0
  Er  Er6  1  0.250  0.581  0.903  1.0
  Er  Er7  1  0.750  0.419  0.097  1.0
  Er  Er8  1  0.750  0.941  0.890  1.0
  Er  Er9  1  0.250  0.059  0.110  1.0
  Er  Er10  1  0.750  0.441  0.610  1.0
  Er  Er11  1  0.250  0.559  0.390  1.0
  Te  Te12  1  0.250  0.472  0.216  1.0
  Te  Te13  1  0.750  0.528  0.784  1.0
  Te  Te14  1  0.250  0.972  0.284  1.0
  Te  Te15  1  0.750  0.028  0.716  1.0
  Te  Te16  1  0.250  0.375  0.972  1.0
  Te  Te17  1  0.750  0.625  0.028  1.0
  Te  Te18  1  0.250  0.875  0.528  1.0
  Te  Te19  1  0.750  0.125  0.472  1.0
  Te  Te20  1  0.250  0.296  0.658  1.0
  Te  Te21  1  0.750  0.704  0.342  1.0
  Te  Te22  1  0.250  0.796  0.842  1.0
  Te  Te23  1  0.750  0.204  0.158  1.0
  Te  Te24  1  0.750  0.411  0.425  1.0
  Te  Te25  1  0.250  0.589  0.575  1.0
  Te  Te26  1  0.750  0.911  0.075  1.0
  Te  Te27  1  0.250  0.089  0.925  1.0
[/CIF]
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