The material structure described by Rb2GeSe3 crystallizes in the monoclinic C2/m space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 5-coordinate geometry to two equivalent Se(3) and three equivalent Se(1) atoms. In the second Rb site, Rb(2) is bonded to two equivalent Se(1), two equivalent Se(2), and three equivalent Se(3) atoms to form distorted RbSe7 pentagonal bipyramids that share corners with two equivalent Rb(2)Se7 pentagonal bipyramids, corners with three equivalent Ge(1)Se4 tetrahedra, edges with four equivalent Rb(2)Se7 pentagonal bipyramids, and edges with three equivalent Ge(1)Se4 tetrahedra. Ge(1) is bonded to one Se(1), one Se(3), and two equivalent Se(2) atoms to form GeSe4 tetrahedra that share corners with three equivalent Rb(2)Se7 pentagonal bipyramids, edges with three equivalent Rb(2)Se7 pentagonal bipyramids, and  an edgeedge with one Ge(1)Se4 tetrahedra. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Rb(2), three equivalent Rb(1), and one Ge(1) atom to form a mixture of distorted corner and edge-sharing SeRb5Ge octahedra. The corner-sharing octahedral tilt angles range from 8-70°. In the second Se site, Se(2) is bonded in a 2-coordinate geometry to two equivalent Rb(2) and two equivalent Ge(1) atoms. In the third Se site, Se(3) is bonded to two equivalent Rb(1), three equivalent Rb(2), and one Ge(1) atom to form a mixture of distorted corner and edge-sharing SeRb5Ge octahedra. The corner-sharing octahedral tilt angles range from 8-70°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2GeSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.205
_cell_length_b   7.868
_cell_length_c   9.160
_cell_angle_alpha   72.062
_cell_angle_beta   66.841
_cell_angle_gamma   62.751
_symmetry_Int_Tables_number   1
_cell_volume   419.196
_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
  Rb  Rb0  1  0.811  0.559  0.819  1.0
  Rb  Rb1  1  0.189  0.441  0.181  1.0
  Rb  Rb2  1  0.588  0.196  0.629  1.0
  Rb  Rb3  1  0.412  0.804  0.371  1.0
  Ge  Ge4  1  0.880  0.054  0.185  1.0
  Ge  Ge5  1  0.120  0.946  0.815  1.0
  Se  Se6  1  0.299  0.627  0.775  1.0
  Se  Se7  1  0.701  0.373  0.225  1.0
  Se  Se8  1  0.248  0.000  0.000  1.0
  Se  Se9  1  0.752  0.000  0.000  1.0
  Se  Se10  1  0.888  0.817  0.408  1.0
  Se  Se11  1  0.112  0.183  0.592  1.0
[/CIF]
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The material structure described by Rb2GeSe3 crystallizes in the monoclinic C2/m space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 5-coordinate geometry to two equivalent Se(3) and three equivalent Se(1) atoms. In the second Rb site, Rb(2) is bonded to two equivalent Se(1), two equivalent Se(2), and three equivalent Se(3) atoms to form distorted RbSe7 pentagonal bipyramids that share corners with two equivalent Rb(2)Se7 pentagonal bipyramids, corners with three equivalent Ge(1)Se4 tetrahedra, edges with four equivalent Rb(2)Se7 pentagonal bipyramids, and edges with three equivalent Ge(1)Se4 tetrahedra. Ge(1) is bonded to one Se(1), one Se(3), and two equivalent Se(2) atoms to form GeSe4 tetrahedra that share corners with three equivalent Rb(2)Se7 pentagonal bipyramids, edges with three equivalent Rb(2)Se7 pentagonal bipyramids, and  an edgeedge with one Ge(1)Se4 tetrahedra. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Rb(2), three equivalent Rb(1), and one Ge(1) atom to form a mixture of distorted corner and edge-sharing SeRb5Ge octahedra. The corner-sharing octahedral tilt angles range from 8-70°. In the second Se site, Se(2) is bonded in a 2-coordinate geometry to two equivalent Rb(2) and two equivalent Ge(1) atoms. In the third Se site, Se(3) is bonded to two equivalent Rb(1), three equivalent Rb(2), and one Ge(1) atom to form a mixture of distorted corner and edge-sharing SeRb5Ge octahedra. The corner-sharing octahedral tilt angles range from 8-70°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2GeSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.205
_cell_length_b   7.868
_cell_length_c   9.160
_cell_angle_alpha   72.062
_cell_angle_beta   66.841
_cell_angle_gamma   62.751
_symmetry_Int_Tables_number   1
_cell_volume   419.196
_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
  Rb  Rb0  1  0.811  0.559  0.819  1.0
  Rb  Rb1  1  0.189  0.441  0.181  1.0
  Rb  Rb2  1  0.588  0.196  0.629  1.0
  Rb  Rb3  1  0.412  0.804  0.371  1.0
  Ge  Ge4  1  0.880  0.054  0.185  1.0
  Ge  Ge5  1  0.120  0.946  0.815  1.0
  Se  Se6  1  0.299  0.627  0.775  1.0
  Se  Se7  1  0.701  0.373  0.225  1.0
  Se  Se8  1  0.248  0.000  0.000  1.0
  Se  Se9  1  0.752  0.000  0.000  1.0
  Se  Se10  1  0.888  0.817  0.408  1.0
  Se  Se11  1  0.112  0.183  0.592  1.0
[/CIF]
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