The compound described by KBa(AgTe2)2 is Parent of FeAs superconductors-like structured and crystallizes in the tetragonal I4mm space group. K(1) is bonded in a 8-coordinate geometry to four equivalent Te(1) and four equivalent Te(2) atoms. Ba(1) is bonded in a 8-coordinate geometry to four equivalent Te(1) and four equivalent Te(3) atoms. Ag(1) is bonded to two equivalent Te(2) and two equivalent Te(3) atoms to form a mixture of distorted corner and edge-sharing AgTe4 tetrahedra. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted body-centered cubic geometry to two equivalent K(1), two equivalent Ba(1), and four equivalent Te(1) atoms. In the second Te site, Te(2) is bonded in a 8-coordinate geometry to four equivalent K(1) and four equivalent Ag(1) atoms. In the third Te site, Te(3) is bonded in a 8-coordinate geometry to four equivalent Ba(1) and four equivalent Ag(1) atoms. is represented by the CIF file [CIF]
data_KBa(AgTe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.796
_cell_length_b   12.796
_cell_length_c   12.796
_cell_angle_alpha   159.329
_cell_angle_beta   159.329
_cell_angle_gamma   29.396
_symmetry_Int_Tables_number   1
_cell_volume   260.917
_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  0.883  0.883  0.000  1.0
  Ba  Ba1  1  0.116  0.116  0.000  1.0
  Ag  Ag2  1  0.251  0.751  0.500  1.0
  Ag  Ag3  1  0.751  0.251  0.500  1.0
  Te  Te4  1  0.502  0.002  0.500  1.0
  Te  Te5  1  0.002  0.502  0.500  1.0
  Te  Te6  1  0.320  0.320  0.000  1.0
  Te  Te7  1  0.673  0.673  0.000  1.0
[/CIF]
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The compound described by KBa(AgTe2)2 is Parent of FeAs superconductors-like structured and crystallizes in the tetragonal I4mm space group. K(1) is bonded in a 8-coordinate geometry to four equivalent Te(1) and four equivalent Te(2) atoms. Ba(1) is bonded in a 8-coordinate geometry to four equivalent Te(1) and four equivalent Te(3) atoms. Ag(1) is bonded to two equivalent Te(2) and two equivalent Te(3) atoms to form a mixture of distorted corner and edge-sharing AgTe4 tetrahedra. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted body-centered cubic geometry to two equivalent K(1), two equivalent Ba(1), and four equivalent Te(1) atoms. In the second Te site, Te(2) is bonded in a 8-coordinate geometry to four equivalent K(1) and four equivalent Ag(1) atoms. In the third Te site, Te(3) is bonded in a 8-coordinate geometry to four equivalent Ba(1) and four equivalent Ag(1) atoms. is represented by the CIF file [CIF]
data_KBa(AgTe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.796
_cell_length_b   12.796
_cell_length_c   12.796
_cell_angle_alpha   159.329
_cell_angle_beta   159.329
_cell_angle_gamma   29.396
_symmetry_Int_Tables_number   1
_cell_volume   260.917
_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  0.883  0.883  0.000  1.0
  Ba  Ba1  1  0.116  0.116  0.000  1.0
  Ag  Ag2  1  0.251  0.751  0.500  1.0
  Ag  Ag3  1  0.751  0.251  0.500  1.0
  Te  Te4  1  0.502  0.002  0.500  1.0
  Te  Te5  1  0.002  0.502  0.500  1.0
  Te  Te6  1  0.320  0.320  0.000  1.0
  Te  Te7  1  0.673  0.673  0.000  1.0
[/CIF]
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