The material described by Ca(CeTe2)2 crystallizes in the tetragonal I-42d space group. Ca(1) is bonded to eight equivalent Te(1) atoms to form distorted CaTe8 hexagonal bipyramids that share corners with eight equivalent Ce(1)Te8 hexagonal bipyramids, edges with four equivalent Ca(1)Te8 hexagonal bipyramids, and faces with eight equivalent Ce(1)Te8 hexagonal bipyramids. Ce(1) is bonded to eight equivalent Te(1) atoms to form distorted CeTe8 hexagonal bipyramids that share corners with four equivalent Ca(1)Te8 hexagonal bipyramids, corners with four equivalent Ce(1)Te8 hexagonal bipyramids, edges with four equivalent Ce(1)Te8 hexagonal bipyramids, faces with four equivalent Ca(1)Te8 hexagonal bipyramids, and faces with four equivalent Ce(1)Te8 hexagonal bipyramids. Te(1) is bonded to two equivalent Ca(1) and four equivalent Ce(1) atoms to form a mixture of distorted corner, face, and edge-sharing TeCa2Ce4 octahedra. The corner-sharing octahedral tilt angles range from 17-50°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(CeTe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.302
_cell_length_b   8.302
_cell_length_c   8.302
_cell_angle_alpha   109.777
_cell_angle_beta   109.777
_cell_angle_gamma   108.861
_symmetry_Int_Tables_number   1
_cell_volume   440.468
_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  0.000  1.0
  Ce  Ce2  1  0.875  0.498  0.123  1.0
  Ce  Ce3  1  0.248  0.125  0.623  1.0
  Ce  Ce4  1  0.375  0.752  0.877  1.0
  Ce  Ce5  1  0.502  0.625  0.377  1.0
  Te  Te6  1  0.624  0.022  0.752  1.0
  Te  Te7  1  0.622  0.520  0.748  1.0
  Te  Te8  1  0.480  0.228  0.102  1.0
  Te  Te9  1  0.128  0.376  0.398  1.0
  Te  Te10  1  0.772  0.874  0.252  1.0
  Te  Te11  1  0.126  0.378  0.898  1.0
  Te  Te12  1  0.978  0.730  0.602  1.0
  Te  Te13  1  0.270  0.872  0.248  1.0
[/CIF]
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The material described by Ca(CeTe2)2 crystallizes in the tetragonal I-42d space group. Ca(1) is bonded to eight equivalent Te(1) atoms to form distorted CaTe8 hexagonal bipyramids that share corners with eight equivalent Ce(1)Te8 hexagonal bipyramids, edges with four equivalent Ca(1)Te8 hexagonal bipyramids, and faces with eight equivalent Ce(1)Te8 hexagonal bipyramids. Ce(1) is bonded to eight equivalent Te(1) atoms to form distorted CeTe8 hexagonal bipyramids that share corners with four equivalent Ca(1)Te8 hexagonal bipyramids, corners with four equivalent Ce(1)Te8 hexagonal bipyramids, edges with four equivalent Ce(1)Te8 hexagonal bipyramids, faces with four equivalent Ca(1)Te8 hexagonal bipyramids, and faces with four equivalent Ce(1)Te8 hexagonal bipyramids. Te(1) is bonded to two equivalent Ca(1) and four equivalent Ce(1) atoms to form a mixture of distorted corner, face, and edge-sharing TeCa2Ce4 octahedra. The corner-sharing octahedral tilt angles range from 17-50°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(CeTe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.302
_cell_length_b   8.302
_cell_length_c   8.302
_cell_angle_alpha   109.777
_cell_angle_beta   109.777
_cell_angle_gamma   108.861
_symmetry_Int_Tables_number   1
_cell_volume   440.468
_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  0.000  1.0
  Ce  Ce2  1  0.875  0.498  0.123  1.0
  Ce  Ce3  1  0.248  0.125  0.623  1.0
  Ce  Ce4  1  0.375  0.752  0.877  1.0
  Ce  Ce5  1  0.502  0.625  0.377  1.0
  Te  Te6  1  0.624  0.022  0.752  1.0
  Te  Te7  1  0.622  0.520  0.748  1.0
  Te  Te8  1  0.480  0.228  0.102  1.0
  Te  Te9  1  0.128  0.376  0.398  1.0
  Te  Te10  1  0.772  0.874  0.252  1.0
  Te  Te11  1  0.126  0.378  0.898  1.0
  Te  Te12  1  0.978  0.730  0.602  1.0
  Te  Te13  1  0.270  0.872  0.248  1.0
[/CIF]
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