The crystal structure described by BaIn2P2 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one P(2), two equivalent P(1), and three equivalent P(4) atoms to form distorted BaP6 octahedra that share corners with three equivalent In(4)P3 tetrahedra, edges with two equivalent Ba(2)P6 octahedra, and edges with four equivalent Ba(1)P6 octahedra. In the second Ba site, Ba(2) is bonded to one P(1), two equivalent P(2), and three equivalent P(3) atoms to form distorted BaP6 octahedra that share corners with four equivalent In(4)P3 tetrahedra, edges with two equivalent Ba(1)P6 octahedra, edges with four equivalent Ba(2)P6 octahedra, and  an edgeedge with one In(4)P3 tetrahedra. There are four inequivalent In sites. In the first In site, In(1) is bonded in a 3-coordinate geometry to three equivalent P(2) atoms. In the second In site, In(2) is bonded in a distorted trigonal non-coplanar geometry to one P(3) and two equivalent P(1) atoms. In the third In site, In(3) is bonded in a distorted trigonal non-coplanar geometry to one P(1) and two equivalent P(4) atoms. In the fourth In site, In(4) is bonded to one P(4) and two equivalent P(3) atoms to form distorted InP3 tetrahedra that share corners with three equivalent Ba(1)P6 octahedra, corners with four equivalent Ba(2)P6 octahedra, corners with two equivalent In(4)P3 tetrahedra, and  an edgeedge with one Ba(2)P6 octahedra. The corner-sharing octahedral tilt angles range from 3-91°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one Ba(2), two equivalent Ba(1), one In(3), and two equivalent In(2) atoms to form a mixture of corner and edge-sharing PBa3In3 octahedra. The corner-sharing octahedral tilt angles range from 7-12°. In the second P site, P(2) is bonded to one Ba(1), two equivalent Ba(2), and three equivalent In(1) atoms to form a mixture of corner and edge-sharing PBa3In3 octahedra. The corner-sharing octahedral tilt angles range from 20-73°. In the third P site, P(3) is bonded to three equivalent Ba(2), one In(2), and two equivalent In(4) atoms to form a mixture of corner and edge-sharing PBa3In3 octahedra. The corner-sharing octahedral tilt angles range from 7-73°. In the fourth P site, P(4) is bonded to three equivalent Ba(1), one In(4), and two equivalent In(3) atoms to form a mixture of corner and edge-sharing PBa3In3 octahedra. The corner-sharing octahedral tilt angles range from 12-66°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba(InP)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.251
_cell_length_b   10.164
_cell_length_c   13.142
_cell_angle_alpha   85.381
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   565.978
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.250  0.439  0.846  1.0
  Ba  Ba1  1  0.750  0.561  0.154  1.0
  Ba  Ba2  1  0.250  0.840  0.409  1.0
  Ba  Ba3  1  0.750  0.160  0.591  1.0
  In  In4  1  0.750  0.552  0.595  1.0
  In  In5  1  0.250  0.448  0.405  1.0
  In  In6  1  0.250  0.044  0.835  1.0
  In  In7  1  0.750  0.956  0.165  1.0
  In  In8  1  0.750  0.189  0.035  1.0
  In  In9  1  0.250  0.811  0.965  1.0
  In  In10  1  0.750  0.772  0.717  1.0
  In  In11  1  0.250  0.228  0.283  1.0
  P  P12  1  0.750  0.200  0.834  1.0
  P  P13  1  0.250  0.800  0.166  1.0
  P  P14  1  0.250  0.392  0.607  1.0
  P  P15  1  0.750  0.608  0.393  1.0
  P  P16  1  0.250  0.921  0.662  1.0
  P  P17  1  0.750  0.079  0.338  1.0
  P  P18  1  0.750  0.671  0.911  1.0
  P  P19  1  0.250  0.329  0.089  1.0
[/CIF]
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The crystal structure described by BaIn2P2 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one P(2), two equivalent P(1), and three equivalent P(4) atoms to form distorted BaP6 octahedra that share corners with three equivalent In(4)P3 tetrahedra, edges with two equivalent Ba(2)P6 octahedra, and edges with four equivalent Ba(1)P6 octahedra. In the second Ba site, Ba(2) is bonded to one P(1), two equivalent P(2), and three equivalent P(3) atoms to form distorted BaP6 octahedra that share corners with four equivalent In(4)P3 tetrahedra, edges with two equivalent Ba(1)P6 octahedra, edges with four equivalent Ba(2)P6 octahedra, and  an edgeedge with one In(4)P3 tetrahedra. There are four inequivalent In sites. In the first In site, In(1) is bonded in a 3-coordinate geometry to three equivalent P(2) atoms. In the second In site, In(2) is bonded in a distorted trigonal non-coplanar geometry to one P(3) and two equivalent P(1) atoms. In the third In site, In(3) is bonded in a distorted trigonal non-coplanar geometry to one P(1) and two equivalent P(4) atoms. In the fourth In site, In(4) is bonded to one P(4) and two equivalent P(3) atoms to form distorted InP3 tetrahedra that share corners with three equivalent Ba(1)P6 octahedra, corners with four equivalent Ba(2)P6 octahedra, corners with two equivalent In(4)P3 tetrahedra, and  an edgeedge with one Ba(2)P6 octahedra. The corner-sharing octahedral tilt angles range from 3-91°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one Ba(2), two equivalent Ba(1), one In(3), and two equivalent In(2) atoms to form a mixture of corner and edge-sharing PBa3In3 octahedra. The corner-sharing octahedral tilt angles range from 7-12°. In the second P site, P(2) is bonded to one Ba(1), two equivalent Ba(2), and three equivalent In(1) atoms to form a mixture of corner and edge-sharing PBa3In3 octahedra. The corner-sharing octahedral tilt angles range from 20-73°. In the third P site, P(3) is bonded to three equivalent Ba(2), one In(2), and two equivalent In(4) atoms to form a mixture of corner and edge-sharing PBa3In3 octahedra. The corner-sharing octahedral tilt angles range from 7-73°. In the fourth P site, P(4) is bonded to three equivalent Ba(1), one In(4), and two equivalent In(3) atoms to form a mixture of corner and edge-sharing PBa3In3 octahedra. The corner-sharing octahedral tilt angles range from 12-66°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba(InP)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.251
_cell_length_b   10.164
_cell_length_c   13.142
_cell_angle_alpha   85.381
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   565.978
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.250  0.439  0.846  1.0
  Ba  Ba1  1  0.750  0.561  0.154  1.0
  Ba  Ba2  1  0.250  0.840  0.409  1.0
  Ba  Ba3  1  0.750  0.160  0.591  1.0
  In  In4  1  0.750  0.552  0.595  1.0
  In  In5  1  0.250  0.448  0.405  1.0
  In  In6  1  0.250  0.044  0.835  1.0
  In  In7  1  0.750  0.956  0.165  1.0
  In  In8  1  0.750  0.189  0.035  1.0
  In  In9  1  0.250  0.811  0.965  1.0
  In  In10  1  0.750  0.772  0.717  1.0
  In  In11  1  0.250  0.228  0.283  1.0
  P  P12  1  0.750  0.200  0.834  1.0
  P  P13  1  0.250  0.800  0.166  1.0
  P  P14  1  0.250  0.392  0.607  1.0
  P  P15  1  0.750  0.608  0.393  1.0
  P  P16  1  0.250  0.921  0.662  1.0
  P  P17  1  0.750  0.079  0.338  1.0
  P  P18  1  0.750  0.671  0.911  1.0
  P  P19  1  0.250  0.329  0.089  1.0
[/CIF]
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