The material structure described by ZnGaPSe is Stannite-like structured and crystallizes in the trigonal R3m space group. Zn(1) is bonded to one P(1) and three equivalent Se(1) atoms to form ZnPSe3 tetrahedra that share corners with six equivalent Zn(1)PSe3 tetrahedra and corners with six equivalent Ga(1)P3Se tetrahedra. Ga(1) is bonded to three equivalent P(1) and one Se(1) atom to form GaP3Se tetrahedra that share corners with six equivalent Zn(1)PSe3 tetrahedra and corners with six equivalent Ga(1)P3Se tetrahedra. P(1) is bonded to one Zn(1) and three equivalent Ga(1) atoms to form PZnGa3 tetrahedra that share corners with six equivalent P(1)ZnGa3 tetrahedra and corners with six equivalent Se(1)Zn3Ga tetrahedra. Se(1) is bonded to three equivalent Zn(1) and one Ga(1) atom to form SeZn3Ga tetrahedra that share corners with six equivalent P(1)ZnGa3 tetrahedra and corners with six equivalent Se(1)Zn3Ga tetrahedra. is represented by the CIF card [CIF]
data_ZnGaPSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.921
_cell_length_b   6.921
_cell_length_c   6.921
_cell_angle_alpha   33.249
_cell_angle_beta   33.249
_cell_angle_gamma   33.249
_symmetry_Int_Tables_number   1
_cell_volume   88.706
_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  0.005  0.005  0.005  1.0
  Ga  Ga1  1  0.495  0.495  0.495  1.0
  P  P2  1  0.126  0.126  0.126  1.0
  Se  Se3  1  0.623  0.623  0.623  1.0
[/CIF]
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The material structure described by ZnGaPSe is Stannite-like structured and crystallizes in the trigonal R3m space group. Zn(1) is bonded to one P(1) and three equivalent Se(1) atoms to form ZnPSe3 tetrahedra that share corners with six equivalent Zn(1)PSe3 tetrahedra and corners with six equivalent Ga(1)P3Se tetrahedra. Ga(1) is bonded to three equivalent P(1) and one Se(1) atom to form GaP3Se tetrahedra that share corners with six equivalent Zn(1)PSe3 tetrahedra and corners with six equivalent Ga(1)P3Se tetrahedra. P(1) is bonded to one Zn(1) and three equivalent Ga(1) atoms to form PZnGa3 tetrahedra that share corners with six equivalent P(1)ZnGa3 tetrahedra and corners with six equivalent Se(1)Zn3Ga tetrahedra. Se(1) is bonded to three equivalent Zn(1) and one Ga(1) atom to form SeZn3Ga tetrahedra that share corners with six equivalent P(1)ZnGa3 tetrahedra and corners with six equivalent Se(1)Zn3Ga tetrahedra. is represented by the CIF card [CIF]
data_ZnGaPSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.921
_cell_length_b   6.921
_cell_length_c   6.921
_cell_angle_alpha   33.249
_cell_angle_beta   33.249
_cell_angle_gamma   33.249
_symmetry_Int_Tables_number   1
_cell_volume   88.706
_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  0.005  0.005  0.005  1.0
  Ga  Ga1  1  0.495  0.495  0.495  1.0
  P  P2  1  0.126  0.126  0.126  1.0
  Se  Se3  1  0.623  0.623  0.623  1.0
[/CIF]
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