The crystal structure described by Na4Ge2Se5 crystallizes in the triclinic P-1 space group. There are five inequivalent Na sites. In the first Na site, Na(1) is bonded to one Se(1), one Se(5), two equivalent Se(3), and two equivalent Se(4) atoms to form a mixture of corner and edge-sharing NaSe6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. In the second Na site, Na(2) is bonded to one Se(1), one Se(2), one Se(4), one Se(5), and two equivalent Se(3) atoms to form a mixture of distorted corner and edge-sharing NaSe6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the third Na site, Na(3) is bonded to two equivalent Se(3), two equivalent Se(4), and two equivalent Se(5) atoms to form a mixture of corner and edge-sharing NaSe6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the fourth Na site, Na(4) is bonded to two equivalent Se(1), two equivalent Se(2), and two equivalent Se(5) atoms to form a mixture of corner and edge-sharing NaSe6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. In the fifth Na site, Na(5) is bonded to one Se(4), one Se(5), two equivalent Se(1), and two equivalent Se(2) atoms to form a mixture of distorted corner and edge-sharing NaSe6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a distorted trigonal non-coplanar geometry to one Se(2), one Se(3), and one Se(5) atom. In the second Ge site, Ge(2) is bonded in a distorted trigonal non-coplanar geometry to one Se(1), one Se(2), and one Se(4) atom. There are five inequivalent Se sites. In the first Se site, Se(1) is bonded to one Na(1), one Na(2), one Na(4), two equivalent Na(5), and one Ge(2) atom to form SeNa5Ge octahedra that share  a cornercorner with one Se(1)Na5Ge octahedra, corners with two equivalent Se(2)Na4Ge2 octahedra, corners with two equivalent Se(3)Na5Ge octahedra, corners with two equivalent Se(4)Na5Ge octahedra,  an edgeedge with one Se(1)Na5Ge octahedra,  an edgeedge with one Se(3)Na5Ge octahedra, edges with two equivalent Se(4)Na5Ge octahedra, edges with three equivalent Se(2)Na4Ge2 octahedra, and edges with three equivalent Se(5)Na5Ge octahedra. The corner-sharing octahedral tilt angles range from 0-89°. In the second Se site, Se(2) is bonded to one Na(2), one Na(4), two equivalent Na(5), one Ge(1), and one Ge(2) atom to form SeNa4Ge2 octahedra that share  a cornercorner with one Se(2)Na4Ge2 octahedra,  a cornercorner with one Se(3)Na5Ge octahedra, corners with two equivalent Se(1)Na5Ge octahedra, corners with two equivalent Se(5)Na5Ge octahedra,  an edgeedge with one Se(2)Na4Ge2 octahedra,  an edgeedge with one Se(3)Na5Ge octahedra, edges with two equivalent Se(4)Na5Ge octahedra, edges with two equivalent Se(5)Na5Ge octahedra, and edges with three equivalent Se(1)Na5Ge octahedra. The corner-sharing octahedral tilt angles range from 0-85°. In the third Se site, Se(3) is bonded to one Na(3), two equivalent Na(1), two equivalent Na(2), and one Ge(1) atom to form SeNa5Ge octahedra that share  a cornercorner with one Se(2)Na4Ge2 octahedra,  a cornercorner with one Se(3)Na5Ge octahedra,  a cornercorner with one Se(5)Na5Ge octahedra, corners with two equivalent Se(1)Na5Ge octahedra, corners with two equivalent Se(4)Na5Ge octahedra,  an edgeedge with one Se(2)Na4Ge2 octahedra,  an edgeedge with one Se(1)Na5Ge octahedra, edges with two equivalent Se(3)Na5Ge octahedra, edges with three equivalent Se(4)Na5Ge octahedra, and edges with three equivalent Se(5)Na5Ge octahedra. The corner-sharing octahedral tilt angles range from 0-89°. In the fourth Se site, Se(4) is bonded to one Na(2), one Na(3), one Na(5), two equivalent Na(1), and one Ge(2) atom to form SeNa5Ge octahedra that share  a cornercorner with one Se(4)Na5Ge octahedra, corners with two equivalent Se(1)Na5Ge octahedra, corners with two equivalent Se(3)Na5Ge octahedra, corners with two equivalent Se(5)Na5Ge octahedra,  an edgeedge with one Se(4)Na5Ge octahedra, edges with two equivalent Se(2)Na4Ge2 octahedra, edges with two equivalent Se(1)Na5Ge octahedra, edges with two equivalent Se(5)Na5Ge octahedra, and edges with three equivalent Se(3)Na5Ge octahedra. The corner-sharing octahedral tilt angles range from 0-88°. In the fifth Se site, Se(5) is bonded to one Na(1), one Na(2), one Na(3), one Na(4), one Na(5), and one Ge(1) atom to form SeNa5Ge octahedra that share  a cornercorner with one Se(3)Na5Ge octahedra, corners with two equivalent Se(2)Na4Ge2 octahedra, corners with two equivalent Se(4)Na5Ge octahedra, corners with two equivalent Se(5)Na5Ge octahedra, edges with two equivalent Se(2)Na4Ge2 octahedra, edges with two equivalent Se(4)Na5Ge octahedra, edges with three equivalent Se(1)Na5Ge octahedra, and edges with three equivalent Se(3)Na5Ge octahedra. The corner-sharing octahedral tilt angles range from 0-88°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4Ge2Se5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.068
_cell_length_b   8.082
_cell_length_c   10.674
_cell_angle_alpha   73.415
_cell_angle_beta   70.842
_cell_angle_gamma   81.695
_symmetry_Int_Tables_number   1
_cell_volume   551.169
_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
  Na  Na0  1  0.204  1.000  0.594  1.0
  Na  Na1  1  0.796  0.000  0.406  1.0
  Na  Na2  1  0.912  0.521  0.684  1.0
  Na  Na3  1  0.088  0.479  0.316  1.0
  Na  Na4  1  0.500  0.500  0.500  1.0
  Na  Na5  1  0.000  0.000  0.000  1.0
  Na  Na6  1  0.272  0.491  0.897  1.0
  Na  Na7  1  0.728  0.509  0.103  1.0
  Ge  Ge8  1  0.425  0.844  0.230  1.0
  Ge  Ge9  1  0.575  0.156  0.770  1.0
  Ge  Ge10  1  0.382  0.158  0.167  1.0
  Ge  Ge11  1  0.618  0.842  0.833  1.0
  Se  Se12  1  0.059  0.246  0.154  1.0
  Se  Se13  1  0.941  0.754  0.846  1.0
  Se  Se14  1  0.643  0.256  0.948  1.0
  Se  Se15  1  0.357  0.744  0.052  1.0
  Se  Se16  1  0.837  0.252  0.571  1.0
  Se  Se17  1  0.163  0.748  0.429  1.0
  Se  Se18  1  0.537  0.745  0.672  1.0
  Se  Se19  1  0.463  0.255  0.328  1.0
  Se  Se20  1  0.259  0.246  0.745  1.0
  Se  Se21  1  0.741  0.754  0.255  1.0
[/CIF]
.
The crystal structure described by Na4Ge2Se5 crystallizes in the triclinic P-1 space group. There are five inequivalent Na sites. In the first Na site, Na(1) is bonded to one Se(1), one Se(5), two equivalent Se(3), and two equivalent Se(4) atoms to form a mixture of corner and edge-sharing NaSe6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. In the second Na site, Na(2) is bonded to one Se(1), one Se(2), one Se(4), one Se(5), and two equivalent Se(3) atoms to form a mixture of distorted corner and edge-sharing NaSe6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the third Na site, Na(3) is bonded to two equivalent Se(3), two equivalent Se(4), and two equivalent Se(5) atoms to form a mixture of corner and edge-sharing NaSe6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the fourth Na site, Na(4) is bonded to two equivalent Se(1), two equivalent Se(2), and two equivalent Se(5) atoms to form a mixture of corner and edge-sharing NaSe6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. In the fifth Na site, Na(5) is bonded to one Se(4), one Se(5), two equivalent Se(1), and two equivalent Se(2) atoms to form a mixture of distorted corner and edge-sharing NaSe6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a distorted trigonal non-coplanar geometry to one Se(2), one Se(3), and one Se(5) atom. In the second Ge site, Ge(2) is bonded in a distorted trigonal non-coplanar geometry to one Se(1), one Se(2), and one Se(4) atom. There are five inequivalent Se sites. In the first Se site, Se(1) is bonded to one Na(1), one Na(2), one Na(4), two equivalent Na(5), and one Ge(2) atom to form SeNa5Ge octahedra that share  a cornercorner with one Se(1)Na5Ge octahedra, corners with two equivalent Se(2)Na4Ge2 octahedra, corners with two equivalent Se(3)Na5Ge octahedra, corners with two equivalent Se(4)Na5Ge octahedra,  an edgeedge with one Se(1)Na5Ge octahedra,  an edgeedge with one Se(3)Na5Ge octahedra, edges with two equivalent Se(4)Na5Ge octahedra, edges with three equivalent Se(2)Na4Ge2 octahedra, and edges with three equivalent Se(5)Na5Ge octahedra. The corner-sharing octahedral tilt angles range from 0-89°. In the second Se site, Se(2) is bonded to one Na(2), one Na(4), two equivalent Na(5), one Ge(1), and one Ge(2) atom to form SeNa4Ge2 octahedra that share  a cornercorner with one Se(2)Na4Ge2 octahedra,  a cornercorner with one Se(3)Na5Ge octahedra, corners with two equivalent Se(1)Na5Ge octahedra, corners with two equivalent Se(5)Na5Ge octahedra,  an edgeedge with one Se(2)Na4Ge2 octahedra,  an edgeedge with one Se(3)Na5Ge octahedra, edges with two equivalent Se(4)Na5Ge octahedra, edges with two equivalent Se(5)Na5Ge octahedra, and edges with three equivalent Se(1)Na5Ge octahedra. The corner-sharing octahedral tilt angles range from 0-85°. In the third Se site, Se(3) is bonded to one Na(3), two equivalent Na(1), two equivalent Na(2), and one Ge(1) atom to form SeNa5Ge octahedra that share  a cornercorner with one Se(2)Na4Ge2 octahedra,  a cornercorner with one Se(3)Na5Ge octahedra,  a cornercorner with one Se(5)Na5Ge octahedra, corners with two equivalent Se(1)Na5Ge octahedra, corners with two equivalent Se(4)Na5Ge octahedra,  an edgeedge with one Se(2)Na4Ge2 octahedra,  an edgeedge with one Se(1)Na5Ge octahedra, edges with two equivalent Se(3)Na5Ge octahedra, edges with three equivalent Se(4)Na5Ge octahedra, and edges with three equivalent Se(5)Na5Ge octahedra. The corner-sharing octahedral tilt angles range from 0-89°. In the fourth Se site, Se(4) is bonded to one Na(2), one Na(3), one Na(5), two equivalent Na(1), and one Ge(2) atom to form SeNa5Ge octahedra that share  a cornercorner with one Se(4)Na5Ge octahedra, corners with two equivalent Se(1)Na5Ge octahedra, corners with two equivalent Se(3)Na5Ge octahedra, corners with two equivalent Se(5)Na5Ge octahedra,  an edgeedge with one Se(4)Na5Ge octahedra, edges with two equivalent Se(2)Na4Ge2 octahedra, edges with two equivalent Se(1)Na5Ge octahedra, edges with two equivalent Se(5)Na5Ge octahedra, and edges with three equivalent Se(3)Na5Ge octahedra. The corner-sharing octahedral tilt angles range from 0-88°. In the fifth Se site, Se(5) is bonded to one Na(1), one Na(2), one Na(3), one Na(4), one Na(5), and one Ge(1) atom to form SeNa5Ge octahedra that share  a cornercorner with one Se(3)Na5Ge octahedra, corners with two equivalent Se(2)Na4Ge2 octahedra, corners with two equivalent Se(4)Na5Ge octahedra, corners with two equivalent Se(5)Na5Ge octahedra, edges with two equivalent Se(2)Na4Ge2 octahedra, edges with two equivalent Se(4)Na5Ge octahedra, edges with three equivalent Se(1)Na5Ge octahedra, and edges with three equivalent Se(3)Na5Ge octahedra. The corner-sharing octahedral tilt angles range from 0-88°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4Ge2Se5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.068
_cell_length_b   8.082
_cell_length_c   10.674
_cell_angle_alpha   73.415
_cell_angle_beta   70.842
_cell_angle_gamma   81.695
_symmetry_Int_Tables_number   1
_cell_volume   551.169
_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
  Na  Na0  1  0.204  1.000  0.594  1.0
  Na  Na1  1  0.796  0.000  0.406  1.0
  Na  Na2  1  0.912  0.521  0.684  1.0
  Na  Na3  1  0.088  0.479  0.316  1.0
  Na  Na4  1  0.500  0.500  0.500  1.0
  Na  Na5  1  0.000  0.000  0.000  1.0
  Na  Na6  1  0.272  0.491  0.897  1.0
  Na  Na7  1  0.728  0.509  0.103  1.0
  Ge  Ge8  1  0.425  0.844  0.230  1.0
  Ge  Ge9  1  0.575  0.156  0.770  1.0
  Ge  Ge10  1  0.382  0.158  0.167  1.0
  Ge  Ge11  1  0.618  0.842  0.833  1.0
  Se  Se12  1  0.059  0.246  0.154  1.0
  Se  Se13  1  0.941  0.754  0.846  1.0
  Se  Se14  1  0.643  0.256  0.948  1.0
  Se  Se15  1  0.357  0.744  0.052  1.0
  Se  Se16  1  0.837  0.252  0.571  1.0
  Se  Se17  1  0.163  0.748  0.429  1.0
  Se  Se18  1  0.537  0.745  0.672  1.0
  Se  Se19  1  0.463  0.255  0.328  1.0
  Se  Se20  1  0.259  0.246  0.745  1.0
  Se  Se21  1  0.741  0.754  0.255  1.0
[/CIF]
.