The material structure described by KAuSe2 crystallizes in the tetragonal P4/mbm space group. K(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Se(1) atoms. Au(1) is bonded in a distorted square co-planar geometry to four equivalent Se(1) atoms. Se(1) is bonded in a 6-coordinate geometry to four equivalent K(1) and two equivalent Au(1) atoms. is represented by the CIF card [CIF]
data_KAuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.692
_cell_length_b   7.764
_cell_length_c   7.764
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   222.513
_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
  K  K0  1  0.000  0.500  0.500  1.0
  K  K1  1  0.000  0.000  0.000  1.0
  Au  Au2  1  0.000  0.000  0.500  1.0
  Au  Au3  1  0.000  0.500  0.000  1.0
  Se  Se4  1  0.500  0.347  0.153  1.0
  Se  Se5  1  0.500  0.847  0.347  1.0
  Se  Se6  1  0.500  0.153  0.653  1.0
  Se  Se7  1  0.500  0.653  0.847  1.0
[/CIF]
.
The material structure described by KAuSe2 crystallizes in the tetragonal P4/mbm space group. K(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Se(1) atoms. Au(1) is bonded in a distorted square co-planar geometry to four equivalent Se(1) atoms. Se(1) is bonded in a 6-coordinate geometry to four equivalent K(1) and two equivalent Au(1) atoms. is represented by the CIF card [CIF]
data_KAuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.692
_cell_length_b   7.764
_cell_length_c   7.764
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   222.513
_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
  K  K0  1  0.000  0.500  0.500  1.0
  K  K1  1  0.000  0.000  0.000  1.0
  Au  Au2  1  0.000  0.000  0.500  1.0
  Au  Au3  1  0.000  0.500  0.000  1.0
  Se  Se4  1  0.500  0.347  0.153  1.0
  Se  Se5  1  0.500  0.847  0.347  1.0
  Se  Se6  1  0.500  0.153  0.653  1.0
  Se  Se7  1  0.500  0.653  0.847  1.0
[/CIF]
.