The structure described by Ca(NdTe2)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 Nd(1)Te8 hexagonal bipyramids, edges with four equivalent Ca(1)Te8 hexagonal bipyramids, and faces with eight equivalent Nd(1)Te8 hexagonal bipyramids. Nd(1) is bonded to eight equivalent Te(1) atoms to form distorted NdTe8 hexagonal bipyramids that share corners with four equivalent Ca(1)Te8 hexagonal bipyramids, corners with four equivalent Nd(1)Te8 hexagonal bipyramids, edges with four equivalent Nd(1)Te8 hexagonal bipyramids, faces with four equivalent Ca(1)Te8 hexagonal bipyramids, and faces with four equivalent Nd(1)Te8 hexagonal bipyramids. Te(1) is bonded to two equivalent Ca(1) and four equivalent Nd(1) atoms to form a mixture of distorted corner, edge, and face-sharing TeCa2Nd4 octahedra. The corner-sharing octahedral tilt angles range from 17-50°. is represented by the CIF file [CIF]
data_Ca(NdTe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.294
_cell_length_b   8.294
_cell_length_c   8.294
_cell_angle_alpha   109.770
_cell_angle_beta   109.770
_cell_angle_gamma   108.875
_symmetry_Int_Tables_number   1
_cell_volume   439.159
_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
  Nd  Nd2  1  0.375  0.751  0.876  1.0
  Nd  Nd3  1  0.501  0.625  0.376  1.0
  Nd  Nd4  1  0.875  0.499  0.124  1.0
  Nd  Nd5  1  0.249  0.125  0.624  1.0
  Te  Te6  1  0.269  0.872  0.247  1.0
  Te  Te7  1  0.772  0.874  0.253  1.0
  Te  Te8  1  0.126  0.378  0.897  1.0
  Te  Te9  1  0.978  0.731  0.603  1.0
  Te  Te10  1  0.622  0.519  0.747  1.0
  Te  Te11  1  0.481  0.228  0.103  1.0
  Te  Te12  1  0.128  0.376  0.397  1.0
  Te  Te13  1  0.624  0.022  0.753  1.0
[/CIF]
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The structure described by Ca(NdTe2)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 Nd(1)Te8 hexagonal bipyramids, edges with four equivalent Ca(1)Te8 hexagonal bipyramids, and faces with eight equivalent Nd(1)Te8 hexagonal bipyramids. Nd(1) is bonded to eight equivalent Te(1) atoms to form distorted NdTe8 hexagonal bipyramids that share corners with four equivalent Ca(1)Te8 hexagonal bipyramids, corners with four equivalent Nd(1)Te8 hexagonal bipyramids, edges with four equivalent Nd(1)Te8 hexagonal bipyramids, faces with four equivalent Ca(1)Te8 hexagonal bipyramids, and faces with four equivalent Nd(1)Te8 hexagonal bipyramids. Te(1) is bonded to two equivalent Ca(1) and four equivalent Nd(1) atoms to form a mixture of distorted corner, edge, and face-sharing TeCa2Nd4 octahedra. The corner-sharing octahedral tilt angles range from 17-50°. is represented by the CIF file [CIF]
data_Ca(NdTe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.294
_cell_length_b   8.294
_cell_length_c   8.294
_cell_angle_alpha   109.770
_cell_angle_beta   109.770
_cell_angle_gamma   108.875
_symmetry_Int_Tables_number   1
_cell_volume   439.159
_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
  Nd  Nd2  1  0.375  0.751  0.876  1.0
  Nd  Nd3  1  0.501  0.625  0.376  1.0
  Nd  Nd4  1  0.875  0.499  0.124  1.0
  Nd  Nd5  1  0.249  0.125  0.624  1.0
  Te  Te6  1  0.269  0.872  0.247  1.0
  Te  Te7  1  0.772  0.874  0.253  1.0
  Te  Te8  1  0.126  0.378  0.897  1.0
  Te  Te9  1  0.978  0.731  0.603  1.0
  Te  Te10  1  0.622  0.519  0.747  1.0
  Te  Te11  1  0.481  0.228  0.103  1.0
  Te  Te12  1  0.128  0.376  0.397  1.0
  Te  Te13  1  0.624  0.022  0.753  1.0
[/CIF]
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