The structure described by K2GeSe3 crystallizes in the triclinic P-1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to one Se(3), two equivalent Se(1), and three equivalent Se(2) atoms to form distorted KSe6 octahedra that share corners with two equivalent K(1)Se6 octahedra, corners with three equivalent Ge(1)Se4 tetrahedra, edges with three equivalent K(1)Se6 octahedra, and edges with two equivalent Ge(1)Se4 tetrahedra. The corner-sharing octahedral tilt angles are 8°. In the second K site, K(2) is bonded in a 6-coordinate geometry to one Se(3), two equivalent Se(2), and three equivalent Se(1) atoms. Ge(1) is bonded to one Se(1), one Se(2), and two equivalent Se(3) atoms to form GeSe4 tetrahedra that share corners with three equivalent K(1)Se6 octahedra, edges with two equivalent K(1)Se6 octahedra, and  an edgeedge with one Ge(1)Se4 tetrahedra. The corner-sharing octahedral tilt angles range from 19-88°. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent K(1), three equivalent K(2), and one Ge(1) atom to form a mixture of distorted corner and edge-sharing SeK5Ge octahedra. The corner-sharing octahedral tilt angles range from 5-64°. In the second Se site, Se(2) is bonded to two equivalent K(2), three equivalent K(1), and one Ge(1) atom to form a mixture of corner and edge-sharing SeK5Ge octahedra. The corner-sharing octahedral tilt angles range from 5-64°. In the third Se site, Se(3) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one K(2), and two equivalent Ge(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2GeSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.879
_cell_length_b   7.432
_cell_length_c   8.644
_cell_angle_alpha   75.338
_cell_angle_beta   73.243
_cell_angle_gamma   66.825
_symmetry_Int_Tables_number   1
_cell_volume   384.114
_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  0.389  0.798  0.890  1.0
  K  K1  1  0.611  0.202  0.110  1.0
  K  K2  1  0.153  0.463  0.680  1.0
  K  K3  1  0.847  0.537  0.320  1.0
  Ge  Ge4  1  0.860  0.058  0.684  1.0
  Ge  Ge5  1  0.140  0.942  0.316  1.0
  Se  Se6  1  0.665  0.384  0.716  1.0
  Se  Se7  1  0.335  0.616  0.284  1.0
  Se  Se8  1  0.866  0.816  0.911  1.0
  Se  Se9  1  0.134  0.184  0.089  1.0
  Se  Se10  1  0.224  0.036  0.535  1.0
  Se  Se11  1  0.776  0.964  0.465  1.0
[/CIF]
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The structure described by K2GeSe3 crystallizes in the triclinic P-1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to one Se(3), two equivalent Se(1), and three equivalent Se(2) atoms to form distorted KSe6 octahedra that share corners with two equivalent K(1)Se6 octahedra, corners with three equivalent Ge(1)Se4 tetrahedra, edges with three equivalent K(1)Se6 octahedra, and edges with two equivalent Ge(1)Se4 tetrahedra. The corner-sharing octahedral tilt angles are 8°. In the second K site, K(2) is bonded in a 6-coordinate geometry to one Se(3), two equivalent Se(2), and three equivalent Se(1) atoms. Ge(1) is bonded to one Se(1), one Se(2), and two equivalent Se(3) atoms to form GeSe4 tetrahedra that share corners with three equivalent K(1)Se6 octahedra, edges with two equivalent K(1)Se6 octahedra, and  an edgeedge with one Ge(1)Se4 tetrahedra. The corner-sharing octahedral tilt angles range from 19-88°. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent K(1), three equivalent K(2), and one Ge(1) atom to form a mixture of distorted corner and edge-sharing SeK5Ge octahedra. The corner-sharing octahedral tilt angles range from 5-64°. In the second Se site, Se(2) is bonded to two equivalent K(2), three equivalent K(1), and one Ge(1) atom to form a mixture of corner and edge-sharing SeK5Ge octahedra. The corner-sharing octahedral tilt angles range from 5-64°. In the third Se site, Se(3) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one K(2), and two equivalent Ge(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2GeSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.879
_cell_length_b   7.432
_cell_length_c   8.644
_cell_angle_alpha   75.338
_cell_angle_beta   73.243
_cell_angle_gamma   66.825
_symmetry_Int_Tables_number   1
_cell_volume   384.114
_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  0.389  0.798  0.890  1.0
  K  K1  1  0.611  0.202  0.110  1.0
  K  K2  1  0.153  0.463  0.680  1.0
  K  K3  1  0.847  0.537  0.320  1.0
  Ge  Ge4  1  0.860  0.058  0.684  1.0
  Ge  Ge5  1  0.140  0.942  0.316  1.0
  Se  Se6  1  0.665  0.384  0.716  1.0
  Se  Se7  1  0.335  0.616  0.284  1.0
  Se  Se8  1  0.866  0.816  0.911  1.0
  Se  Se9  1  0.134  0.184  0.089  1.0
  Se  Se10  1  0.224  0.036  0.535  1.0
  Se  Se11  1  0.776  0.964  0.465  1.0
[/CIF]
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