The material described by KTl(CoSe)4 crystallizes in the tetragonal P4/mmm space group. K(1) is bonded in a body-centered cubic geometry to eight equivalent Se(2) atoms. Co(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form a mixture of corner and edge-sharing CoSe4 tetrahedra. Tl(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Se(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to four equivalent Co(1) and four equivalent Tl(1) atoms. In the second Se site, Se(2) is bonded in a 8-coordinate geometry to four equivalent K(1) and four equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KTl(CoSe)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.891
_cell_length_b   3.891
_cell_length_c   13.309
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   201.455
_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  0.500  0.500  0.500  1.0
  Tl  Tl1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.000  0.500  0.250  1.0
  Co  Co3  1  0.500  0.000  0.750  1.0
  Co  Co4  1  0.500  0.000  0.250  1.0
  Co  Co5  1  0.000  0.500  0.750  1.0
  Se  Se6  1  0.500  0.500  0.152  1.0
  Se  Se7  1  0.000  0.000  0.651  1.0
  Se  Se8  1  0.000  0.000  0.349  1.0
  Se  Se9  1  0.500  0.500  0.848  1.0
[/CIF]
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The material described by KTl(CoSe)4 crystallizes in the tetragonal P4/mmm space group. K(1) is bonded in a body-centered cubic geometry to eight equivalent Se(2) atoms. Co(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form a mixture of corner and edge-sharing CoSe4 tetrahedra. Tl(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Se(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to four equivalent Co(1) and four equivalent Tl(1) atoms. In the second Se site, Se(2) is bonded in a 8-coordinate geometry to four equivalent K(1) and four equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KTl(CoSe)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.891
_cell_length_b   3.891
_cell_length_c   13.309
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   201.455
_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  0.500  0.500  0.500  1.0
  Tl  Tl1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.000  0.500  0.250  1.0
  Co  Co3  1  0.500  0.000  0.750  1.0
  Co  Co4  1  0.500  0.000  0.250  1.0
  Co  Co5  1  0.000  0.500  0.750  1.0
  Se  Se6  1  0.500  0.500  0.152  1.0
  Se  Se7  1  0.000  0.000  0.651  1.0
  Se  Se8  1  0.000  0.000  0.349  1.0
  Se  Se9  1  0.500  0.500  0.848  1.0
[/CIF]
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