The crystal structure described by K8CaTe6 crystallizes in the tetragonal I-42m space group. K(1) is bonded in a 6-coordinate geometry to two equivalent Te(2) and four equivalent Te(1) atoms. Ca(1) is bonded in a distorted tetrahedral geometry to four equivalent Te(1) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 9-coordinate geometry to eight equivalent K(1) and one Ca(1) atom. In the second Te site, Te(2) is bonded in a 10-coordinate geometry to eight equivalent K(1) and two equivalent Te(2) atoms. is represented by the CIF card [CIF]
data_K8CaTe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.098
_cell_length_b   10.098
_cell_length_c   10.098
_cell_angle_alpha   95.610
_cell_angle_beta   95.610
_cell_angle_gamma   143.559
_symmetry_Int_Tables_number   1
_cell_volume   580.912
_cell_formula_units_Z   1
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
  K  K0  1  0.665  0.474  0.634  1.0
  K  K1  1  0.840  0.031  0.366  1.0
  K  K2  1  0.160  0.526  0.191  1.0
  K  K3  1  0.335  0.969  0.809  1.0
  K  K4  1  0.969  0.335  0.809  1.0
  K  K5  1  0.526  0.160  0.191  1.0
  K  K6  1  0.031  0.840  0.366  1.0
  K  K7  1  0.474  0.665  0.634  1.0
  Ca  Ca8  1  0.500  0.500  0.000  1.0
  Te  Te9  1  0.589  0.882  0.000  1.0
  Te  Te10  1  0.882  0.589  0.000  1.0
  Te  Te11  1  0.118  0.118  0.707  1.0
  Te  Te12  1  0.411  0.411  0.293  1.0
  Te  Te13  1  0.500  0.000  0.500  1.0
  Te  Te14  1  0.000  0.500  0.500  1.0
[/CIF]
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The crystal structure described by K8CaTe6 crystallizes in the tetragonal I-42m space group. K(1) is bonded in a 6-coordinate geometry to two equivalent Te(2) and four equivalent Te(1) atoms. Ca(1) is bonded in a distorted tetrahedral geometry to four equivalent Te(1) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 9-coordinate geometry to eight equivalent K(1) and one Ca(1) atom. In the second Te site, Te(2) is bonded in a 10-coordinate geometry to eight equivalent K(1) and two equivalent Te(2) atoms. is represented by the CIF card [CIF]
data_K8CaTe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.098
_cell_length_b   10.098
_cell_length_c   10.098
_cell_angle_alpha   95.610
_cell_angle_beta   95.610
_cell_angle_gamma   143.559
_symmetry_Int_Tables_number   1
_cell_volume   580.912
_cell_formula_units_Z   1
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
  K  K0  1  0.665  0.474  0.634  1.0
  K  K1  1  0.840  0.031  0.366  1.0
  K  K2  1  0.160  0.526  0.191  1.0
  K  K3  1  0.335  0.969  0.809  1.0
  K  K4  1  0.969  0.335  0.809  1.0
  K  K5  1  0.526  0.160  0.191  1.0
  K  K6  1  0.031  0.840  0.366  1.0
  K  K7  1  0.474  0.665  0.634  1.0
  Ca  Ca8  1  0.500  0.500  0.000  1.0
  Te  Te9  1  0.589  0.882  0.000  1.0
  Te  Te10  1  0.882  0.589  0.000  1.0
  Te  Te11  1  0.118  0.118  0.707  1.0
  Te  Te12  1  0.411  0.411  0.293  1.0
  Te  Te13  1  0.500  0.000  0.500  1.0
  Te  Te14  1  0.000  0.500  0.500  1.0
[/CIF]
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