The material structure described by In4As3P is Chalcopyrite-like structured and crystallizes in the orthorhombic Pmm2 space group. There are three inequivalent In sites. In the first In site, In(1) is bonded to one As(2), two equivalent As(1), and one P(1) atom to form InAs3P tetrahedra that share corners with four equivalent In(3)As2P2 tetrahedra, corners with four equivalent In(1)As3P tetrahedra, and corners with four equivalent In(2)As4 tetrahedra. In the second In site, In(2) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form InAs4 tetrahedra that share corners with two equivalent In(3)As2P2 tetrahedra, corners with two equivalent In(2)As4 tetrahedra, and corners with eight equivalent In(1)As3P tetrahedra. In the third In site, In(3) is bonded to two equivalent As(1) and two equivalent P(1) atoms to form InAs2P2 tetrahedra that share corners with two equivalent In(3)As2P2 tetrahedra, corners with two equivalent In(2)As4 tetrahedra, and corners with eight equivalent In(1)As3P tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded to one In(2), one In(3), and two equivalent In(1) atoms to form AsIn4 tetrahedra that share corners with four equivalent As(1)In4 tetrahedra, corners with four equivalent As(2)In4 tetrahedra, and corners with four equivalent P(1)In4 tetrahedra. In the second As site, As(2) is bonded to two equivalent In(1) and two equivalent In(2) atoms to form AsIn4 tetrahedra that share corners with two equivalent As(2)In4 tetrahedra, corners with two equivalent P(1)In4 tetrahedra, and corners with eight equivalent As(1)In4 tetrahedra. P(1) is bonded to two equivalent In(1) and two equivalent In(3) atoms to form PIn4 tetrahedra that share corners with two equivalent As(2)In4 tetrahedra, corners with two equivalent P(1)In4 tetrahedra, and corners with eight equivalent As(1)In4 tetrahedra. is represented by the CIF card [CIF]
data_In4As3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.353
_cell_length_b   6.073
_cell_length_c   8.733
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   230.842
_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  0.000  0.005  0.994  1.0
  In  In1  1  0.500  0.502  0.250  1.0
  In  In2  1  0.000  0.005  0.506  1.0
  In  In3  1  0.500  0.491  0.750  1.0
  As  As4  1  0.500  0.750  0.998  1.0
  As  As5  1  0.000  0.249  0.250  1.0
  As  As6  1  0.500  0.750  0.502  1.0
  P  P7  1  0.000  0.250  0.750  1.0
[/CIF]
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The material structure described by In4As3P is Chalcopyrite-like structured and crystallizes in the orthorhombic Pmm2 space group. There are three inequivalent In sites. In the first In site, In(1) is bonded to one As(2), two equivalent As(1), and one P(1) atom to form InAs3P tetrahedra that share corners with four equivalent In(3)As2P2 tetrahedra, corners with four equivalent In(1)As3P tetrahedra, and corners with four equivalent In(2)As4 tetrahedra. In the second In site, In(2) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form InAs4 tetrahedra that share corners with two equivalent In(3)As2P2 tetrahedra, corners with two equivalent In(2)As4 tetrahedra, and corners with eight equivalent In(1)As3P tetrahedra. In the third In site, In(3) is bonded to two equivalent As(1) and two equivalent P(1) atoms to form InAs2P2 tetrahedra that share corners with two equivalent In(3)As2P2 tetrahedra, corners with two equivalent In(2)As4 tetrahedra, and corners with eight equivalent In(1)As3P tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded to one In(2), one In(3), and two equivalent In(1) atoms to form AsIn4 tetrahedra that share corners with four equivalent As(1)In4 tetrahedra, corners with four equivalent As(2)In4 tetrahedra, and corners with four equivalent P(1)In4 tetrahedra. In the second As site, As(2) is bonded to two equivalent In(1) and two equivalent In(2) atoms to form AsIn4 tetrahedra that share corners with two equivalent As(2)In4 tetrahedra, corners with two equivalent P(1)In4 tetrahedra, and corners with eight equivalent As(1)In4 tetrahedra. P(1) is bonded to two equivalent In(1) and two equivalent In(3) atoms to form PIn4 tetrahedra that share corners with two equivalent As(2)In4 tetrahedra, corners with two equivalent P(1)In4 tetrahedra, and corners with eight equivalent As(1)In4 tetrahedra. is represented by the CIF card [CIF]
data_In4As3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.353
_cell_length_b   6.073
_cell_length_c   8.733
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   230.842
_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  0.000  0.005  0.994  1.0
  In  In1  1  0.500  0.502  0.250  1.0
  In  In2  1  0.000  0.005  0.506  1.0
  In  In3  1  0.500  0.491  0.750  1.0
  As  As4  1  0.500  0.750  0.998  1.0
  As  As5  1  0.000  0.249  0.250  1.0
  As  As6  1  0.500  0.750  0.502  1.0
  P  P7  1  0.000  0.250  0.750  1.0
[/CIF]
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