The compound described by Ga2AsP is Chalcopyrite-like structured and crystallizes in the trigonal R3m space group. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one As(1) and three equivalent P(1) atoms to form GaAsP3 tetrahedra that share corners with six equivalent Ga(2)As3P tetrahedra and corners with six equivalent Ga(1)AsP3 tetrahedra. In the second Ga site, Ga(2) is bonded to three equivalent As(1) and one P(1) atom to form GaAs3P tetrahedra that share corners with six equivalent Ga(2)As3P tetrahedra and corners with six equivalent Ga(1)AsP3 tetrahedra. As(1) is bonded to one Ga(1) and three equivalent Ga(2) atoms to form AsGa4 tetrahedra that share corners with six equivalent As(1)Ga4 tetrahedra and corners with six equivalent P(1)Ga4 tetrahedra. P(1) is bonded to one Ga(2) and three equivalent Ga(1) atoms to form PGa4 tetrahedra that share corners with six equivalent As(1)Ga4 tetrahedra and corners with six equivalent P(1)Ga4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ga2AsP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.807
_cell_length_b   6.807
_cell_length_c   6.807
_cell_angle_alpha   33.561
_cell_angle_beta   33.561
_cell_angle_gamma   33.561
_symmetry_Int_Tables_number   1
_cell_volume   85.845
_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
  Ga  Ga0  1  0.998  0.998  0.998  1.0
  Ga  Ga1  1  0.502  0.502  0.502  1.0
  As  As2  1  0.125  0.125  0.125  1.0
  P  P3  1  0.625  0.625  0.625  1.0
[/CIF]
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The compound described by Ga2AsP is Chalcopyrite-like structured and crystallizes in the trigonal R3m space group. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one As(1) and three equivalent P(1) atoms to form GaAsP3 tetrahedra that share corners with six equivalent Ga(2)As3P tetrahedra and corners with six equivalent Ga(1)AsP3 tetrahedra. In the second Ga site, Ga(2) is bonded to three equivalent As(1) and one P(1) atom to form GaAs3P tetrahedra that share corners with six equivalent Ga(2)As3P tetrahedra and corners with six equivalent Ga(1)AsP3 tetrahedra. As(1) is bonded to one Ga(1) and three equivalent Ga(2) atoms to form AsGa4 tetrahedra that share corners with six equivalent As(1)Ga4 tetrahedra and corners with six equivalent P(1)Ga4 tetrahedra. P(1) is bonded to one Ga(2) and three equivalent Ga(1) atoms to form PGa4 tetrahedra that share corners with six equivalent As(1)Ga4 tetrahedra and corners with six equivalent P(1)Ga4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ga2AsP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.807
_cell_length_b   6.807
_cell_length_c   6.807
_cell_angle_alpha   33.561
_cell_angle_beta   33.561
_cell_angle_gamma   33.561
_symmetry_Int_Tables_number   1
_cell_volume   85.845
_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
  Ga  Ga0  1  0.998  0.998  0.998  1.0
  Ga  Ga1  1  0.502  0.502  0.502  1.0
  As  As2  1  0.125  0.125  0.125  1.0
  P  P3  1  0.625  0.625  0.625  1.0
[/CIF]
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