The compound described by KSmGeSe4 crystallizes in the monoclinic P2_1 space group. K(1) is bonded in a 7-coordinate geometry to one Se(4), two equivalent Se(1), two equivalent Se(2), and two equivalent Se(3) atoms. Sm(1) is bonded to one Se(3), two equivalent Se(1), two equivalent Se(2), and two equivalent Se(4) atoms to form distorted SmSe7 pentagonal bipyramids that share corners with two equivalent Sm(1)Se7 pentagonal bipyramids,  a cornercorner with one Ge(1)Se4 tetrahedra, edges with two equivalent Sm(1)Se7 pentagonal bipyramids, and edges with three equivalent Ge(1)Se4 tetrahedra. Ge(1) is bonded to one Se(1), one Se(2), one Se(3), and one Se(4) atom to form GeSe4 tetrahedra that share  a cornercorner with one Sm(1)Se7 pentagonal bipyramid and edges with three equivalent Sm(1)Se7 pentagonal bipyramids. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent K(1), two equivalent Sm(1), and one Ge(1) atom to form a mixture of distorted edge, corner, and face-sharing SeK2Sm2Ge square pyramids. In the second Se site, Se(2) is bonded to two equivalent K(1), two equivalent Sm(1), and one Ge(1) atom to form a mixture of distorted edge, corner, and face-sharing SeK2Sm2Ge square pyramids. In the third Se site, Se(3) is bonded in a distorted see-saw-like geometry to two equivalent K(1), one Sm(1), and one Ge(1) atom. In the fourth Se site, Se(4) is bonded in a distorted see-saw-like geometry to one K(1), two equivalent Sm(1), and one Ge(1) atom. is represented by the CIF file [CIF]
data_KSmGeSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.113
_cell_length_b   6.899
_cell_length_c   9.160
_cell_angle_alpha   72.329
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   428.265
_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  0.708  0.755  0.938  1.0
  K  K1  1  0.208  0.245  0.062  1.0
  Sm  Sm2  1  0.203  0.271  0.551  1.0
  Sm  Sm3  1  0.703  0.729  0.449  1.0
  Ge  Ge4  1  0.237  0.723  0.674  1.0
  Ge  Ge5  1  0.737  0.277  0.326  1.0
  Se  Se6  1  0.976  0.533  0.276  1.0
  Se  Se7  1  0.476  0.467  0.724  1.0
  Se  Se8  1  0.462  0.486  0.294  1.0
  Se  Se9  1  0.241  0.926  0.839  1.0
  Se  Se10  1  0.741  0.074  0.161  1.0
  Se  Se11  1  0.809  0.066  0.578  1.0
  Se  Se12  1  0.309  0.934  0.422  1.0
  Se  Se13  1  0.962  0.514  0.706  1.0
[/CIF]
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The compound described by KSmGeSe4 crystallizes in the monoclinic P2_1 space group. K(1) is bonded in a 7-coordinate geometry to one Se(4), two equivalent Se(1), two equivalent Se(2), and two equivalent Se(3) atoms. Sm(1) is bonded to one Se(3), two equivalent Se(1), two equivalent Se(2), and two equivalent Se(4) atoms to form distorted SmSe7 pentagonal bipyramids that share corners with two equivalent Sm(1)Se7 pentagonal bipyramids,  a cornercorner with one Ge(1)Se4 tetrahedra, edges with two equivalent Sm(1)Se7 pentagonal bipyramids, and edges with three equivalent Ge(1)Se4 tetrahedra. Ge(1) is bonded to one Se(1), one Se(2), one Se(3), and one Se(4) atom to form GeSe4 tetrahedra that share  a cornercorner with one Sm(1)Se7 pentagonal bipyramid and edges with three equivalent Sm(1)Se7 pentagonal bipyramids. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent K(1), two equivalent Sm(1), and one Ge(1) atom to form a mixture of distorted edge, corner, and face-sharing SeK2Sm2Ge square pyramids. In the second Se site, Se(2) is bonded to two equivalent K(1), two equivalent Sm(1), and one Ge(1) atom to form a mixture of distorted edge, corner, and face-sharing SeK2Sm2Ge square pyramids. In the third Se site, Se(3) is bonded in a distorted see-saw-like geometry to two equivalent K(1), one Sm(1), and one Ge(1) atom. In the fourth Se site, Se(4) is bonded in a distorted see-saw-like geometry to one K(1), two equivalent Sm(1), and one Ge(1) atom. is represented by the CIF file [CIF]
data_KSmGeSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.113
_cell_length_b   6.899
_cell_length_c   9.160
_cell_angle_alpha   72.329
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   428.265
_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  0.708  0.755  0.938  1.0
  K  K1  1  0.208  0.245  0.062  1.0
  Sm  Sm2  1  0.203  0.271  0.551  1.0
  Sm  Sm3  1  0.703  0.729  0.449  1.0
  Ge  Ge4  1  0.237  0.723  0.674  1.0
  Ge  Ge5  1  0.737  0.277  0.326  1.0
  Se  Se6  1  0.976  0.533  0.276  1.0
  Se  Se7  1  0.476  0.467  0.724  1.0
  Se  Se8  1  0.462  0.486  0.294  1.0
  Se  Se9  1  0.241  0.926  0.839  1.0
  Se  Se10  1  0.741  0.074  0.161  1.0
  Se  Se11  1  0.809  0.066  0.578  1.0
  Se  Se12  1  0.309  0.934  0.422  1.0
  Se  Se13  1  0.962  0.514  0.706  1.0
[/CIF]
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