The material described by ZnGaPS is Stannite-like structured and crystallizes in the trigonal R3m space group. Zn(1) is bonded to one P(1) and three equivalent S(1) atoms to form ZnPS3 tetrahedra that share corners with six equivalent Zn(1)PS3 tetrahedra and corners with six equivalent Ga(1)P3S tetrahedra. Ga(1) is bonded to three equivalent P(1) and one S(1) atom to form GaP3S tetrahedra that share corners with six equivalent Zn(1)PS3 tetrahedra and corners with six equivalent Ga(1)P3S 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 S(1)Zn3Ga tetrahedra. S(1) is bonded to three equivalent Zn(1) and one Ga(1) atom to form SZn3Ga tetrahedra that share corners with six equivalent P(1)ZnGa3 tetrahedra and corners with six equivalent S(1)Zn3Ga tetrahedra. is represented by the CIF file [CIF]
data_ZnGaPS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.721
_cell_length_b   6.721
_cell_length_c   6.721
_cell_angle_alpha   33.534
_cell_angle_beta   33.534
_cell_angle_gamma   33.534
_symmetry_Int_Tables_number   1
_cell_volume   82.530
_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  0.002  0.002  0.002  1.0
  Ga  Ga1  1  0.499  0.499  0.499  1.0
  P  P2  1  0.126  0.126  0.126  1.0
  S  S3  1  0.624  0.624  0.624  1.0
[/CIF]
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The material described by ZnGaPS is Stannite-like structured and crystallizes in the trigonal R3m space group. Zn(1) is bonded to one P(1) and three equivalent S(1) atoms to form ZnPS3 tetrahedra that share corners with six equivalent Zn(1)PS3 tetrahedra and corners with six equivalent Ga(1)P3S tetrahedra. Ga(1) is bonded to three equivalent P(1) and one S(1) atom to form GaP3S tetrahedra that share corners with six equivalent Zn(1)PS3 tetrahedra and corners with six equivalent Ga(1)P3S 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 S(1)Zn3Ga tetrahedra. S(1) is bonded to three equivalent Zn(1) and one Ga(1) atom to form SZn3Ga tetrahedra that share corners with six equivalent P(1)ZnGa3 tetrahedra and corners with six equivalent S(1)Zn3Ga tetrahedra. is represented by the CIF file [CIF]
data_ZnGaPS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.721
_cell_length_b   6.721
_cell_length_c   6.721
_cell_angle_alpha   33.534
_cell_angle_beta   33.534
_cell_angle_gamma   33.534
_symmetry_Int_Tables_number   1
_cell_volume   82.530
_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  0.002  0.002  0.002  1.0
  Ga  Ga1  1  0.499  0.499  0.499  1.0
  P  P2  1  0.126  0.126  0.126  1.0
  S  S3  1  0.624  0.624  0.624  1.0
[/CIF]
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