The crystal structure described by In2AsP is Chalcopyrite-like structured and crystallizes in the trigonal R3m space group. There are two inequivalent In sites. In the first In site, In(1) is bonded to one As(1) and three equivalent P(1) atoms to form InAsP3 tetrahedra that share corners with six equivalent In(2)As3P tetrahedra and corners with six equivalent In(1)AsP3 tetrahedra. In the second In site, In(2) is bonded to three equivalent As(1) and one P(1) atom to form InAs3P tetrahedra that share corners with six equivalent In(2)As3P tetrahedra and corners with six equivalent In(1)AsP3 tetrahedra. As(1) is bonded to one In(1) and three equivalent In(2) atoms to form AsIn4 tetrahedra that share corners with six equivalent As(1)In4 tetrahedra and corners with six equivalent P(1)In4 tetrahedra. P(1) is bonded to one In(2) and three equivalent In(1) atoms to form PIn4 tetrahedra that share corners with six equivalent As(1)In4 tetrahedra and corners with six equivalent P(1)In4 tetrahedra. is represented by the CIF card [CIF]
data_In2AsP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.361
_cell_length_b   7.361
_cell_length_c   7.361
_cell_angle_alpha   33.529
_cell_angle_beta   33.529
_cell_angle_gamma   33.529
_symmetry_Int_Tables_number   1
_cell_volume   108.393
_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
  In  In0  1  0.002  0.002  0.002  1.0
  In  In1  1  0.498  0.498  0.498  1.0
  As  As2  1  0.875  0.875  0.875  1.0
  P  P3  1  0.375  0.375  0.375  1.0
[/CIF]
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The crystal structure described by In2AsP is Chalcopyrite-like structured and crystallizes in the trigonal R3m space group. There are two inequivalent In sites. In the first In site, In(1) is bonded to one As(1) and three equivalent P(1) atoms to form InAsP3 tetrahedra that share corners with six equivalent In(2)As3P tetrahedra and corners with six equivalent In(1)AsP3 tetrahedra. In the second In site, In(2) is bonded to three equivalent As(1) and one P(1) atom to form InAs3P tetrahedra that share corners with six equivalent In(2)As3P tetrahedra and corners with six equivalent In(1)AsP3 tetrahedra. As(1) is bonded to one In(1) and three equivalent In(2) atoms to form AsIn4 tetrahedra that share corners with six equivalent As(1)In4 tetrahedra and corners with six equivalent P(1)In4 tetrahedra. P(1) is bonded to one In(2) and three equivalent In(1) atoms to form PIn4 tetrahedra that share corners with six equivalent As(1)In4 tetrahedra and corners with six equivalent P(1)In4 tetrahedra. is represented by the CIF card [CIF]
data_In2AsP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.361
_cell_length_b   7.361
_cell_length_c   7.361
_cell_angle_alpha   33.529
_cell_angle_beta   33.529
_cell_angle_gamma   33.529
_symmetry_Int_Tables_number   1
_cell_volume   108.393
_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
  In  In0  1  0.002  0.002  0.002  1.0
  In  In1  1  0.498  0.498  0.498  1.0
  As  As2  1  0.875  0.875  0.875  1.0
  P  P3  1  0.375  0.375  0.375  1.0
[/CIF]
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