The crystal structure described by Zn2GeSe4 crystallizes in the tetragonal I-42m space group. Zn(1) is bonded to four equivalent Se(1) atoms to form ZnSe4 tetrahedra that share corners with four equivalent Zn(1)Se4 tetrahedra and corners with four equivalent Ge(1)Se4 tetrahedra. Ge(1) is bonded to four equivalent Se(1) atoms to form GeSe4 tetrahedra that share corners with eight equivalent Zn(1)Se4 tetrahedra. Se(1) is bonded in a trigonal non-coplanar geometry to two equivalent Zn(1) and one Ge(1) atom. is represented by the CIF card [CIF]
data_Zn2GeSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.056
_cell_length_b   10.446
_cell_length_c   6.650
_cell_angle_alpha   29.516
_cell_angle_beta   52.715
_cell_angle_gamma   39.535
_symmetry_Int_Tables_number   1
_cell_volume   171.644
_cell_formula_units_Z   1
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
  Zn  Zn0  1  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.500  1.000  1.000  1.0
  Ge  Ge2  1  0.250  0.500  1.000  1.0
  Se  Se3  1  0.385  0.500  0.233  1.0
  Se  Se4  1  0.115  0.003  0.264  1.0
  Se  Se5  1  0.882  0.500  0.233  1.0
  Se  Se6  1  0.618  0.997  0.270  1.0
[/CIF]
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The crystal structure described by Zn2GeSe4 crystallizes in the tetragonal I-42m space group. Zn(1) is bonded to four equivalent Se(1) atoms to form ZnSe4 tetrahedra that share corners with four equivalent Zn(1)Se4 tetrahedra and corners with four equivalent Ge(1)Se4 tetrahedra. Ge(1) is bonded to four equivalent Se(1) atoms to form GeSe4 tetrahedra that share corners with eight equivalent Zn(1)Se4 tetrahedra. Se(1) is bonded in a trigonal non-coplanar geometry to two equivalent Zn(1) and one Ge(1) atom. is represented by the CIF card [CIF]
data_Zn2GeSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.056
_cell_length_b   10.446
_cell_length_c   6.650
_cell_angle_alpha   29.516
_cell_angle_beta   52.715
_cell_angle_gamma   39.535
_symmetry_Int_Tables_number   1
_cell_volume   171.644
_cell_formula_units_Z   1
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
  Zn  Zn0  1  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.500  1.000  1.000  1.0
  Ge  Ge2  1  0.250  0.500  1.000  1.0
  Se  Se3  1  0.385  0.500  0.233  1.0
  Se  Se4  1  0.115  0.003  0.264  1.0
  Se  Se5  1  0.882  0.500  0.233  1.0
  Se  Se6  1  0.618  0.997  0.270  1.0
[/CIF]
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