The material described by Na4Cd3Se5 crystallizes in the orthorhombic Pnma space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one Se(3), two equivalent Se(2), and two equivalent Se(4) atoms. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one Se(3), two equivalent Se(4), and three equivalent Se(5) atoms. In the third Na site, Na(3) is bonded to two equivalent Se(1) and three equivalent Se(3) atoms to form distorted NaSe5 square pyramids that share corners with two equivalent Cd(2)Se4 tetrahedra, corners with two equivalent Cd(3)Se4 tetrahedra, edges with four equivalent Na(3)Se5 square pyramids,  an edgeedge with one Cd(2)Se4 tetrahedra, and edges with three equivalent Cd(3)Se4 tetrahedra. In the fourth Na site, Na(4) is bonded in a 5-coordinate geometry to one Se(1), two equivalent Se(2), and two equivalent Se(4) atoms. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 4-coordinate geometry to one Se(2), one Se(4), and two equivalent Se(5) atoms. In the second Cd site, Cd(2) is bonded to one Se(2), one Se(4), and two equivalent Se(1) atoms to form distorted CdSe4 tetrahedra that share corners with two equivalent Na(3)Se5 square pyramids, corners with two equivalent Cd(2)Se4 tetrahedra, corners with two equivalent Cd(3)Se4 tetrahedra, and  an edgeedge with one Na(3)Se5 square pyramid. In the third Cd site, Cd(3) is bonded to one Se(1), one Se(5), and two equivalent Se(3) atoms to form CdSe4 tetrahedra that share corners with two equivalent Na(3)Se5 square pyramids, corners with two equivalent Cd(2)Se4 tetrahedra, corners with two equivalent Cd(3)Se4 tetrahedra, and edges with three equivalent Na(3)Se5 square pyramids. There are five inequivalent Se sites. In the first Se site, Se(3) is bonded in a 7-coordinate geometry to one Na(1), one Na(2), three equivalent Na(3), and two equivalent Cd(3) atoms. In the second Se site, Se(4) is bonded in a 8-coordinate geometry to two equivalent Na(1), two equivalent Na(2), two equivalent Na(4), one Cd(1), and one Cd(2) atom. In the third Se site, Se(5) is bonded to three equivalent Na(2), one Cd(3), and two equivalent Cd(1) atoms to form SeNa3Cd3 octahedra that share  a cornercorner with one Se(1)Na3Cd3 octahedra, corners with two equivalent Se(2)Na4Cd2 pentagonal pyramids, and edges with four equivalent Se(5)Na3Cd3 octahedra. The corner-sharing octahedral tilt angles are 69°. In the fourth Se site, Se(1) is bonded to one Na(4), two equivalent Na(3), one Cd(3), and two equivalent Cd(2) atoms to form SeNa3Cd3 octahedra that share  a cornercorner with one Se(5)Na3Cd3 octahedra, corners with four equivalent Se(2)Na4Cd2 pentagonal pyramids, and edges with two equivalent Se(1)Na3Cd3 octahedra. The corner-sharing octahedral tilt angles are 69°. In the fifth Se site, Se(2) is bonded to two equivalent Na(1), two equivalent Na(4), one Cd(1), and one Cd(2) atom to form distorted SeNa4Cd2 pentagonal pyramids that share corners with two equivalent Se(5)Na3Cd3 octahedra, corners with four equivalent Se(1)Na3Cd3 octahedra, and edges with two equivalent Se(2)Na4Cd2 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 61-75°. is represented by the CIF card [CIF]
data_Na4Cd3Se5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.263
_cell_length_b   14.100
_cell_length_c   20.256
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1217.428
_cell_formula_units_Z   4
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  0.250  0.276  0.834  1.0
  Na  Na1  1  0.750  0.724  0.166  1.0
  Na  Na2  1  0.250  0.776  0.666  1.0
  Na  Na3  1  0.750  0.224  0.334  1.0
  Na  Na4  1  0.250  0.111  0.948  1.0
  Na  Na5  1  0.750  0.889  0.052  1.0
  Na  Na6  1  0.250  0.611  0.552  1.0
  Na  Na7  1  0.750  0.389  0.448  1.0
  Na  Na8  1  0.250  0.007  0.419  1.0
  Na  Na9  1  0.750  0.993  0.581  1.0
  Na  Na10  1  0.250  0.507  0.081  1.0
  Na  Na11  1  0.750  0.493  0.919  1.0
  Na  Na12  1  0.250  0.502  0.733  1.0
  Na  Na13  1  0.750  0.498  0.267  1.0
  Na  Na14  1  0.250  0.002  0.767  1.0
  Na  Na15  1  0.750  0.998  0.233  1.0
  Cd  Cd16  1  0.250  0.576  0.370  1.0
  Cd  Cd17  1  0.750  0.424  0.630  1.0
  Cd  Cd18  1  0.250  0.076  0.130  1.0
  Cd  Cd19  1  0.750  0.924  0.870  1.0
  Cd  Cd20  1  0.250  0.317  0.217  1.0
  Cd  Cd21  1  0.750  0.683  0.783  1.0
  Cd  Cd22  1  0.250  0.817  0.283  1.0
  Cd  Cd23  1  0.750  0.183  0.717  1.0
  Cd  Cd24  1  0.250  0.206  0.535  1.0
  Cd  Cd25  1  0.750  0.794  0.465  1.0
  Cd  Cd26  1  0.250  0.706  0.965  1.0
  Cd  Cd27  1  0.750  0.294  0.035  1.0
  Se  Se28  1  0.250  0.114  0.652  1.0
  Se  Se29  1  0.750  0.362  0.753  1.0
  Se  Se30  1  0.750  0.862  0.747  1.0
  Se  Se31  1  0.250  0.138  0.253  1.0
  Se  Se32  1  0.750  0.146  0.468  1.0
  Se  Se33  1  0.250  0.854  0.532  1.0
  Se  Se34  1  0.750  0.646  0.032  1.0
  Se  Se35  1  0.250  0.354  0.968  1.0
  Se  Se36  1  0.750  0.115  0.844  1.0
  Se  Se37  1  0.250  0.885  0.156  1.0
  Se  Se38  1  0.750  0.615  0.656  1.0
  Se  Se39  1  0.250  0.385  0.344  1.0
  Se  Se40  1  0.750  0.107  0.054  1.0
  Se  Se41  1  0.250  0.893  0.946  1.0
  Se  Se42  1  0.750  0.607  0.446  1.0
  Se  Se43  1  0.250  0.393  0.554  1.0
  Se  Se44  1  0.250  0.614  0.848  1.0
  Se  Se45  1  0.750  0.386  0.152  1.0
  Se  Se46  1  0.250  0.638  0.247  1.0
  Se  Se47  1  0.750  0.886  0.348  1.0
[/CIF]
.
The material described by Na4Cd3Se5 crystallizes in the orthorhombic Pnma space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one Se(3), two equivalent Se(2), and two equivalent Se(4) atoms. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one Se(3), two equivalent Se(4), and three equivalent Se(5) atoms. In the third Na site, Na(3) is bonded to two equivalent Se(1) and three equivalent Se(3) atoms to form distorted NaSe5 square pyramids that share corners with two equivalent Cd(2)Se4 tetrahedra, corners with two equivalent Cd(3)Se4 tetrahedra, edges with four equivalent Na(3)Se5 square pyramids,  an edgeedge with one Cd(2)Se4 tetrahedra, and edges with three equivalent Cd(3)Se4 tetrahedra. In the fourth Na site, Na(4) is bonded in a 5-coordinate geometry to one Se(1), two equivalent Se(2), and two equivalent Se(4) atoms. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 4-coordinate geometry to one Se(2), one Se(4), and two equivalent Se(5) atoms. In the second Cd site, Cd(2) is bonded to one Se(2), one Se(4), and two equivalent Se(1) atoms to form distorted CdSe4 tetrahedra that share corners with two equivalent Na(3)Se5 square pyramids, corners with two equivalent Cd(2)Se4 tetrahedra, corners with two equivalent Cd(3)Se4 tetrahedra, and  an edgeedge with one Na(3)Se5 square pyramid. In the third Cd site, Cd(3) is bonded to one Se(1), one Se(5), and two equivalent Se(3) atoms to form CdSe4 tetrahedra that share corners with two equivalent Na(3)Se5 square pyramids, corners with two equivalent Cd(2)Se4 tetrahedra, corners with two equivalent Cd(3)Se4 tetrahedra, and edges with three equivalent Na(3)Se5 square pyramids. There are five inequivalent Se sites. In the first Se site, Se(3) is bonded in a 7-coordinate geometry to one Na(1), one Na(2), three equivalent Na(3), and two equivalent Cd(3) atoms. In the second Se site, Se(4) is bonded in a 8-coordinate geometry to two equivalent Na(1), two equivalent Na(2), two equivalent Na(4), one Cd(1), and one Cd(2) atom. In the third Se site, Se(5) is bonded to three equivalent Na(2), one Cd(3), and two equivalent Cd(1) atoms to form SeNa3Cd3 octahedra that share  a cornercorner with one Se(1)Na3Cd3 octahedra, corners with two equivalent Se(2)Na4Cd2 pentagonal pyramids, and edges with four equivalent Se(5)Na3Cd3 octahedra. The corner-sharing octahedral tilt angles are 69°. In the fourth Se site, Se(1) is bonded to one Na(4), two equivalent Na(3), one Cd(3), and two equivalent Cd(2) atoms to form SeNa3Cd3 octahedra that share  a cornercorner with one Se(5)Na3Cd3 octahedra, corners with four equivalent Se(2)Na4Cd2 pentagonal pyramids, and edges with two equivalent Se(1)Na3Cd3 octahedra. The corner-sharing octahedral tilt angles are 69°. In the fifth Se site, Se(2) is bonded to two equivalent Na(1), two equivalent Na(4), one Cd(1), and one Cd(2) atom to form distorted SeNa4Cd2 pentagonal pyramids that share corners with two equivalent Se(5)Na3Cd3 octahedra, corners with four equivalent Se(1)Na3Cd3 octahedra, and edges with two equivalent Se(2)Na4Cd2 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 61-75°. is represented by the CIF card [CIF]
data_Na4Cd3Se5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.263
_cell_length_b   14.100
_cell_length_c   20.256
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1217.428
_cell_formula_units_Z   4
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  0.250  0.276  0.834  1.0
  Na  Na1  1  0.750  0.724  0.166  1.0
  Na  Na2  1  0.250  0.776  0.666  1.0
  Na  Na3  1  0.750  0.224  0.334  1.0
  Na  Na4  1  0.250  0.111  0.948  1.0
  Na  Na5  1  0.750  0.889  0.052  1.0
  Na  Na6  1  0.250  0.611  0.552  1.0
  Na  Na7  1  0.750  0.389  0.448  1.0
  Na  Na8  1  0.250  0.007  0.419  1.0
  Na  Na9  1  0.750  0.993  0.581  1.0
  Na  Na10  1  0.250  0.507  0.081  1.0
  Na  Na11  1  0.750  0.493  0.919  1.0
  Na  Na12  1  0.250  0.502  0.733  1.0
  Na  Na13  1  0.750  0.498  0.267  1.0
  Na  Na14  1  0.250  0.002  0.767  1.0
  Na  Na15  1  0.750  0.998  0.233  1.0
  Cd  Cd16  1  0.250  0.576  0.370  1.0
  Cd  Cd17  1  0.750  0.424  0.630  1.0
  Cd  Cd18  1  0.250  0.076  0.130  1.0
  Cd  Cd19  1  0.750  0.924  0.870  1.0
  Cd  Cd20  1  0.250  0.317  0.217  1.0
  Cd  Cd21  1  0.750  0.683  0.783  1.0
  Cd  Cd22  1  0.250  0.817  0.283  1.0
  Cd  Cd23  1  0.750  0.183  0.717  1.0
  Cd  Cd24  1  0.250  0.206  0.535  1.0
  Cd  Cd25  1  0.750  0.794  0.465  1.0
  Cd  Cd26  1  0.250  0.706  0.965  1.0
  Cd  Cd27  1  0.750  0.294  0.035  1.0
  Se  Se28  1  0.250  0.114  0.652  1.0
  Se  Se29  1  0.750  0.362  0.753  1.0
  Se  Se30  1  0.750  0.862  0.747  1.0
  Se  Se31  1  0.250  0.138  0.253  1.0
  Se  Se32  1  0.750  0.146  0.468  1.0
  Se  Se33  1  0.250  0.854  0.532  1.0
  Se  Se34  1  0.750  0.646  0.032  1.0
  Se  Se35  1  0.250  0.354  0.968  1.0
  Se  Se36  1  0.750  0.115  0.844  1.0
  Se  Se37  1  0.250  0.885  0.156  1.0
  Se  Se38  1  0.750  0.615  0.656  1.0
  Se  Se39  1  0.250  0.385  0.344  1.0
  Se  Se40  1  0.750  0.107  0.054  1.0
  Se  Se41  1  0.250  0.893  0.946  1.0
  Se  Se42  1  0.750  0.607  0.446  1.0
  Se  Se43  1  0.250  0.393  0.554  1.0
  Se  Se44  1  0.250  0.614  0.848  1.0
  Se  Se45  1  0.750  0.386  0.152  1.0
  Se  Se46  1  0.250  0.638  0.247  1.0
  Se  Se47  1  0.750  0.886  0.348  1.0
[/CIF]
.