The crystal structure described by Ca(LaTe2)2 crystallizes in the tetragonal I-42d space group. Ca(1) is bonded in a 8-coordinate geometry to eight equivalent Te(1) atoms. La(1) is bonded to eight equivalent Te(1) atoms to form a mixture of distorted edge, face, and corner-sharing LaTe8 hexagonal bipyramids. Te(1) is bonded to two equivalent Ca(1) and four equivalent La(1) atoms to form a mixture of distorted edge, face, and corner-sharing TeCa2La4 octahedra. The corner-sharing octahedral tilt angles range from 18-49°. is represented by the CIF card [CIF]
data_Ca(LaTe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.407
_cell_length_b   8.407
_cell_length_c   8.407
_cell_angle_alpha   109.843
_cell_angle_beta   109.843
_cell_angle_gamma   108.728
_symmetry_Int_Tables_number   1
_cell_volume   457.396
_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  1.000  0.000  0.000  1.0
  La  La2  1  0.249  0.625  0.123  1.0
  La  La3  1  0.375  0.498  0.624  1.0
  La  La4  1  0.502  0.125  0.877  1.0
  La  La5  1  0.875  0.751  0.376  1.0
  Te  Te6  1  0.266  0.019  0.393  1.0
  Te  Te7  1  0.483  0.376  0.253  1.0
  Te  Te8  1  0.770  0.517  0.893  1.0
  Te  Te9  1  0.624  0.877  0.107  1.0
  Te  Te10  1  0.626  0.873  0.607  1.0
  Te  Te11  1  0.127  0.734  0.753  1.0
  Te  Te12  1  0.981  0.374  0.247  1.0
  Te  Te13  1  0.123  0.230  0.747  1.0
[/CIF]
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The crystal structure described by Ca(LaTe2)2 crystallizes in the tetragonal I-42d space group. Ca(1) is bonded in a 8-coordinate geometry to eight equivalent Te(1) atoms. La(1) is bonded to eight equivalent Te(1) atoms to form a mixture of distorted edge, face, and corner-sharing LaTe8 hexagonal bipyramids. Te(1) is bonded to two equivalent Ca(1) and four equivalent La(1) atoms to form a mixture of distorted edge, face, and corner-sharing TeCa2La4 octahedra. The corner-sharing octahedral tilt angles range from 18-49°. is represented by the CIF card [CIF]
data_Ca(LaTe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.407
_cell_length_b   8.407
_cell_length_c   8.407
_cell_angle_alpha   109.843
_cell_angle_beta   109.843
_cell_angle_gamma   108.728
_symmetry_Int_Tables_number   1
_cell_volume   457.396
_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  1.000  0.000  0.000  1.0
  La  La2  1  0.249  0.625  0.123  1.0
  La  La3  1  0.375  0.498  0.624  1.0
  La  La4  1  0.502  0.125  0.877  1.0
  La  La5  1  0.875  0.751  0.376  1.0
  Te  Te6  1  0.266  0.019  0.393  1.0
  Te  Te7  1  0.483  0.376  0.253  1.0
  Te  Te8  1  0.770  0.517  0.893  1.0
  Te  Te9  1  0.624  0.877  0.107  1.0
  Te  Te10  1  0.626  0.873  0.607  1.0
  Te  Te11  1  0.127  0.734  0.753  1.0
  Te  Te12  1  0.981  0.374  0.247  1.0
  Te  Te13  1  0.123  0.230  0.747  1.0
[/CIF]
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