The material structure described by KAuSe crystallizes in the orthorhombic Cmcm space group. K(1) is bonded in a 11-coordinate geometry to six equivalent Au(1) and five equivalent Se(1) atoms. Au(1) is bonded to six equivalent K(1) and two equivalent Se(1) atoms to form distorted AuK6Se2 hexagonal bipyramids that share corners with twelve equivalent Au(1)K6Se2 hexagonal bipyramids, corners with twelve equivalent Se(1)K5Au2 pentagonal bipyramids, edges with six equivalent Au(1)K6Se2 hexagonal bipyramids, faces with two equivalent Au(1)K6Se2 hexagonal bipyramids, and faces with six equivalent Se(1)K5Au2 pentagonal bipyramids. Se(1) is bonded to five equivalent K(1) and two equivalent Au(1) atoms to form distorted SeK5Au2 pentagonal bipyramids that share corners with twelve equivalent Au(1)K6Se2 hexagonal bipyramids, corners with ten equivalent Se(1)K5Au2 pentagonal bipyramids, edges with six equivalent Se(1)K5Au2 pentagonal bipyramids, and faces with six equivalent Au(1)K6Se2 hexagonal bipyramids. is represented by the CIF card [CIF]
data_KAuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.184
_cell_length_b   5.184
_cell_length_c   6.869
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   102.235
_symmetry_Int_Tables_number   1
_cell_volume   180.416
_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  0.364  0.636  0.750  1.0
  K  K1  1  0.636  0.364  0.250  1.0
  Au  Au2  1  0.000  0.000  0.000  1.0
  Au  Au3  1  0.000  0.000  0.500  1.0
  Se  Se4  1  0.786  0.214  0.750  1.0
  Se  Se5  1  0.214  0.786  0.250  1.0
[/CIF]
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The material structure described by KAuSe crystallizes in the orthorhombic Cmcm space group. K(1) is bonded in a 11-coordinate geometry to six equivalent Au(1) and five equivalent Se(1) atoms. Au(1) is bonded to six equivalent K(1) and two equivalent Se(1) atoms to form distorted AuK6Se2 hexagonal bipyramids that share corners with twelve equivalent Au(1)K6Se2 hexagonal bipyramids, corners with twelve equivalent Se(1)K5Au2 pentagonal bipyramids, edges with six equivalent Au(1)K6Se2 hexagonal bipyramids, faces with two equivalent Au(1)K6Se2 hexagonal bipyramids, and faces with six equivalent Se(1)K5Au2 pentagonal bipyramids. Se(1) is bonded to five equivalent K(1) and two equivalent Au(1) atoms to form distorted SeK5Au2 pentagonal bipyramids that share corners with twelve equivalent Au(1)K6Se2 hexagonal bipyramids, corners with ten equivalent Se(1)K5Au2 pentagonal bipyramids, edges with six equivalent Se(1)K5Au2 pentagonal bipyramids, and faces with six equivalent Au(1)K6Se2 hexagonal bipyramids. is represented by the CIF card [CIF]
data_KAuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.184
_cell_length_b   5.184
_cell_length_c   6.869
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   102.235
_symmetry_Int_Tables_number   1
_cell_volume   180.416
_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  0.364  0.636  0.750  1.0
  K  K1  1  0.636  0.364  0.250  1.0
  Au  Au2  1  0.000  0.000  0.000  1.0
  Au  Au3  1  0.000  0.000  0.500  1.0
  Se  Se4  1  0.786  0.214  0.750  1.0
  Se  Se5  1  0.214  0.786  0.250  1.0
[/CIF]
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