The material described by Na2Ge2Se5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one Se(1), one Se(5), two equivalent Se(2), and two equivalent Se(4) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to two equivalent Se(1), two equivalent Se(2), and two equivalent Se(4) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one Se(1), one Se(5), and two equivalent Se(4) atoms to form corner-sharing GeSe4 tetrahedra. In the second Ge site, Ge(2) is bonded to one Se(2), one Se(3), and two equivalent Se(4) atoms to form corner-sharing GeSe4 tetrahedra. There are five inequivalent Se sites. In the first Se site, Se(1) is bonded to one Na(1), two equivalent Na(2), and one Ge(1) atom to form SeNa3Ge trigonal pyramids that share corners with six equivalent Se(2)Na4Ge square pyramids and corners with two equivalent Se(1)Na3Ge trigonal pyramids. In the second Se site, Se(2) is bonded to two equivalent Na(1), two equivalent Na(2), and one Ge(2) atom to form distorted SeNa4Ge square pyramids that share corners with six equivalent Se(1)Na3Ge trigonal pyramids and edges with two equivalent Se(2)Na4Ge square pyramids. In the third Se site, Se(3) is bonded in a water-like geometry to two equivalent Ge(2) atoms. In the fourth Se site, Se(4) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Ge(1), and one Ge(2) atom. In the fifth Se site, Se(5) is bonded in a distorted square co-planar geometry to two equivalent Na(1) and two equivalent Ge(1) atoms. is represented by the CIF card [CIF]
data_Na2Ge2Se5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.501
_cell_length_b   9.501
_cell_length_c   11.080
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.124
_symmetry_Int_Tables_number   1
_cell_volume   1000.023
_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  0.423  0.075  0.750  1.0
  Na  Na1  1  0.577  0.925  0.250  1.0
  Na  Na2  1  0.075  0.423  0.750  1.0
  Na  Na3  1  0.925  0.577  0.250  1.0
  Na  Na4  1  0.144  0.856  0.500  1.0
  Na  Na5  1  0.856  0.144  0.000  1.0
  Na  Na6  1  0.856  0.144  0.500  1.0
  Na  Na7  1  0.144  0.856  0.000  1.0
  Ge  Ge8  1  0.686  0.405  0.750  1.0
  Ge  Ge9  1  0.314  0.595  0.250  1.0
  Ge  Ge10  1  0.405  0.686  0.750  1.0
  Ge  Ge11  1  0.595  0.314  0.250  1.0
  Ge  Ge12  1  0.744  0.744  0.921  1.0
  Ge  Ge13  1  0.256  0.256  0.421  1.0
  Ge  Ge14  1  0.744  0.744  0.579  1.0
  Ge  Ge15  1  0.256  0.256  0.079  1.0
  Se  Se16  1  0.832  0.268  0.250  1.0
  Se  Se17  1  0.168  0.732  0.750  1.0
  Se  Se18  1  0.268  0.832  0.250  1.0
  Se  Se19  1  0.732  0.168  0.750  1.0
  Se  Se20  1  0.844  0.844  0.088  1.0
  Se  Se21  1  0.156  0.156  0.588  1.0
  Se  Se22  1  0.844  0.844  0.412  1.0
  Se  Se23  1  0.156  0.156  0.912  1.0
  Se  Se24  1  0.849  0.849  0.750  1.0
  Se  Se25  1  0.151  0.151  0.250  1.0
  Se  Se26  1  0.203  0.502  0.074  1.0
  Se  Se27  1  0.797  0.498  0.574  1.0
  Se  Se28  1  0.502  0.203  0.426  1.0
  Se  Se29  1  0.498  0.797  0.926  1.0
  Se  Se30  1  0.797  0.498  0.926  1.0
  Se  Se31  1  0.203  0.502  0.426  1.0
  Se  Se32  1  0.498  0.797  0.574  1.0
  Se  Se33  1  0.502  0.203  0.074  1.0
  Se  Se34  1  0.440  0.440  0.750  1.0
  Se  Se35  1  0.560  0.560  0.250  1.0
[/CIF]
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The material described by Na2Ge2Se5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one Se(1), one Se(5), two equivalent Se(2), and two equivalent Se(4) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to two equivalent Se(1), two equivalent Se(2), and two equivalent Se(4) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one Se(1), one Se(5), and two equivalent Se(4) atoms to form corner-sharing GeSe4 tetrahedra. In the second Ge site, Ge(2) is bonded to one Se(2), one Se(3), and two equivalent Se(4) atoms to form corner-sharing GeSe4 tetrahedra. There are five inequivalent Se sites. In the first Se site, Se(1) is bonded to one Na(1), two equivalent Na(2), and one Ge(1) atom to form SeNa3Ge trigonal pyramids that share corners with six equivalent Se(2)Na4Ge square pyramids and corners with two equivalent Se(1)Na3Ge trigonal pyramids. In the second Se site, Se(2) is bonded to two equivalent Na(1), two equivalent Na(2), and one Ge(2) atom to form distorted SeNa4Ge square pyramids that share corners with six equivalent Se(1)Na3Ge trigonal pyramids and edges with two equivalent Se(2)Na4Ge square pyramids. In the third Se site, Se(3) is bonded in a water-like geometry to two equivalent Ge(2) atoms. In the fourth Se site, Se(4) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Ge(1), and one Ge(2) atom. In the fifth Se site, Se(5) is bonded in a distorted square co-planar geometry to two equivalent Na(1) and two equivalent Ge(1) atoms. is represented by the CIF card [CIF]
data_Na2Ge2Se5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.501
_cell_length_b   9.501
_cell_length_c   11.080
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.124
_symmetry_Int_Tables_number   1
_cell_volume   1000.023
_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  0.423  0.075  0.750  1.0
  Na  Na1  1  0.577  0.925  0.250  1.0
  Na  Na2  1  0.075  0.423  0.750  1.0
  Na  Na3  1  0.925  0.577  0.250  1.0
  Na  Na4  1  0.144  0.856  0.500  1.0
  Na  Na5  1  0.856  0.144  0.000  1.0
  Na  Na6  1  0.856  0.144  0.500  1.0
  Na  Na7  1  0.144  0.856  0.000  1.0
  Ge  Ge8  1  0.686  0.405  0.750  1.0
  Ge  Ge9  1  0.314  0.595  0.250  1.0
  Ge  Ge10  1  0.405  0.686  0.750  1.0
  Ge  Ge11  1  0.595  0.314  0.250  1.0
  Ge  Ge12  1  0.744  0.744  0.921  1.0
  Ge  Ge13  1  0.256  0.256  0.421  1.0
  Ge  Ge14  1  0.744  0.744  0.579  1.0
  Ge  Ge15  1  0.256  0.256  0.079  1.0
  Se  Se16  1  0.832  0.268  0.250  1.0
  Se  Se17  1  0.168  0.732  0.750  1.0
  Se  Se18  1  0.268  0.832  0.250  1.0
  Se  Se19  1  0.732  0.168  0.750  1.0
  Se  Se20  1  0.844  0.844  0.088  1.0
  Se  Se21  1  0.156  0.156  0.588  1.0
  Se  Se22  1  0.844  0.844  0.412  1.0
  Se  Se23  1  0.156  0.156  0.912  1.0
  Se  Se24  1  0.849  0.849  0.750  1.0
  Se  Se25  1  0.151  0.151  0.250  1.0
  Se  Se26  1  0.203  0.502  0.074  1.0
  Se  Se27  1  0.797  0.498  0.574  1.0
  Se  Se28  1  0.502  0.203  0.426  1.0
  Se  Se29  1  0.498  0.797  0.926  1.0
  Se  Se30  1  0.797  0.498  0.926  1.0
  Se  Se31  1  0.203  0.502  0.426  1.0
  Se  Se32  1  0.498  0.797  0.574  1.0
  Se  Se33  1  0.502  0.203  0.074  1.0
  Se  Se34  1  0.440  0.440  0.750  1.0
  Se  Se35  1  0.560  0.560  0.250  1.0
[/CIF]
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