The crystal structure described by Ca(PrTe2)2 crystallizes in the tetragonal I-42d space group. Ca(1) is bonded in a 8-coordinate geometry to eight equivalent Te(1) atoms. Pr(1) is bonded to eight equivalent Te(1) atoms to form a mixture of distorted edge, corner, and face-sharing PrTe8 hexagonal bipyramids. Te(1) is bonded to two equivalent Ca(1) and four equivalent Pr(1) atoms to form a mixture of distorted edge, corner, and face-sharing TeCa2Pr4 octahedra. The corner-sharing octahedral tilt angles range from 18-49°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(PrTe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.350
_cell_length_b   8.349
_cell_length_c   8.350
_cell_angle_alpha   109.819
_cell_angle_beta   109.821
_cell_angle_gamma   108.775
_symmetry_Int_Tables_number   1
_cell_volume   448.043
_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
  Ca  Ca0  1  0.750  0.250  0.500  1.0
  Ca  Ca1  1  0.000  0.000  1.000  1.0
  Pr  Pr2  1  0.500  0.125  0.875  1.0
  Pr  Pr3  1  0.875  0.750  0.375  1.0
  Pr  Pr4  1  0.250  0.625  0.125  1.0
  Pr  Pr5  1  0.375  0.500  0.625  1.0
  Te  Te6  1  0.981  0.375  0.247  1.0
  Te  Te7  1  0.484  0.377  0.253  1.0
  Te  Te8  1  0.625  0.872  0.606  1.0
  Te  Te9  1  0.124  0.231  0.747  1.0
  Te  Te10  1  0.769  0.516  0.893  1.0
  Te  Te11  1  0.623  0.876  0.107  1.0
  Te  Te12  1  0.266  0.019  0.394  1.0
  Te  Te13  1  0.128  0.734  0.753  1.0
[/CIF]
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The crystal structure described by Ca(PrTe2)2 crystallizes in the tetragonal I-42d space group. Ca(1) is bonded in a 8-coordinate geometry to eight equivalent Te(1) atoms. Pr(1) is bonded to eight equivalent Te(1) atoms to form a mixture of distorted edge, corner, and face-sharing PrTe8 hexagonal bipyramids. Te(1) is bonded to two equivalent Ca(1) and four equivalent Pr(1) atoms to form a mixture of distorted edge, corner, and face-sharing TeCa2Pr4 octahedra. The corner-sharing octahedral tilt angles range from 18-49°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(PrTe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.350
_cell_length_b   8.349
_cell_length_c   8.350
_cell_angle_alpha   109.819
_cell_angle_beta   109.821
_cell_angle_gamma   108.775
_symmetry_Int_Tables_number   1
_cell_volume   448.043
_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
  Ca  Ca0  1  0.750  0.250  0.500  1.0
  Ca  Ca1  1  0.000  0.000  1.000  1.0
  Pr  Pr2  1  0.500  0.125  0.875  1.0
  Pr  Pr3  1  0.875  0.750  0.375  1.0
  Pr  Pr4  1  0.250  0.625  0.125  1.0
  Pr  Pr5  1  0.375  0.500  0.625  1.0
  Te  Te6  1  0.981  0.375  0.247  1.0
  Te  Te7  1  0.484  0.377  0.253  1.0
  Te  Te8  1  0.625  0.872  0.606  1.0
  Te  Te9  1  0.124  0.231  0.747  1.0
  Te  Te10  1  0.769  0.516  0.893  1.0
  Te  Te11  1  0.623  0.876  0.107  1.0
  Te  Te12  1  0.266  0.019  0.394  1.0
  Te  Te13  1  0.128  0.734  0.753  1.0
[/CIF]
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