The material described by Zn2GaSe4 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 Ga(1)Se4 tetrahedra. Ga(1) is bonded to four equivalent Se(1) atoms to form GaSe4 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 Ga(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2GaSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.776
_cell_length_b   6.776
_cell_length_c   6.776
_cell_angle_alpha   131.183
_cell_angle_beta   131.183
_cell_angle_gamma   71.523
_symmetry_Int_Tables_number   1
_cell_volume   172.456
_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  0.250  0.750  0.500  1.0
  Zn  Zn1  1  0.750  0.250  0.500  1.0
  Ga  Ga2  1  0.000  0.000  0.000  1.0
  Se  Se3  1  0.853  0.380  0.000  1.0
  Se  Se4  1  0.380  0.853  0.000  1.0
  Se  Se5  1  0.620  0.620  0.473  1.0
  Se  Se6  1  0.147  0.147  0.527  1.0
[/CIF]
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The material described by Zn2GaSe4 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 Ga(1)Se4 tetrahedra. Ga(1) is bonded to four equivalent Se(1) atoms to form GaSe4 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 Ga(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2GaSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.776
_cell_length_b   6.776
_cell_length_c   6.776
_cell_angle_alpha   131.183
_cell_angle_beta   131.183
_cell_angle_gamma   71.523
_symmetry_Int_Tables_number   1
_cell_volume   172.456
_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  0.250  0.750  0.500  1.0
  Zn  Zn1  1  0.750  0.250  0.500  1.0
  Ga  Ga2  1  0.000  0.000  0.000  1.0
  Se  Se3  1  0.853  0.380  0.000  1.0
  Se  Se4  1  0.380  0.853  0.000  1.0
  Se  Se5  1  0.620  0.620  0.473  1.0
  Se  Se6  1  0.147  0.147  0.527  1.0
[/CIF]
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