Ba2(InP)5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent P(2), two equivalent P(5), and three equivalent P(4) atoms to form distorted BaP7 pentagonal bipyramids that share  a cornercorner with one In(3)P4 tetrahedra, edges with two equivalent Ba(1)P7 pentagonal bipyramids, edges with two equivalent In(3)P4 tetrahedra, and faces with two equivalent Ba(1)P7 pentagonal bipyramids. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one P(2), one P(5), two equivalent P(1), and three equivalent P(3) atoms. There are five inequivalent In sites. In the first In site, In(1) is bonded in a distorted trigonal non-coplanar geometry to one P(3) and two equivalent P(2) atoms. In the second In site, In(2) is bonded in a distorted trigonal non-coplanar geometry to one P(5) and two equivalent P(4) atoms. In the third In site, In(3) is bonded to one P(2), one P(4), and two equivalent P(1) atoms to form InP4 tetrahedra that share  a cornercorner with one Ba(1)P7 pentagonal bipyramid, corners with two equivalent In(3)P4 tetrahedra, and edges with two equivalent Ba(1)P7 pentagonal bipyramids. In the fourth In site, In(4) is bonded in a distorted trigonal non-coplanar geometry to one P(1) and two equivalent P(3) atoms. In the fifth In site, In(5) is bonded in a distorted trigonal non-coplanar geometry to one P(1) and two equivalent P(5) atoms. There are five inequivalent P sites. In the first P site, P(4) is bonded to three equivalent Ba(1), one In(3), and two equivalent In(2) atoms to form PBa3In3 octahedra that share corners with two equivalent P(1)Ba2In4 octahedra, corners with two equivalent P(5)Ba3In3 octahedra, corners with four equivalent P(2)Ba3In3 octahedra, edges with three equivalent P(5)Ba3In3 octahedra, edges with four equivalent P(4)Ba3In3 octahedra, and  a faceface with one P(2)Ba3In3 octahedra. The corner-sharing octahedral tilt angles range from 15-68°. In the second P site, P(5) is bonded to one Ba(2), two equivalent Ba(1), one In(2), and two equivalent In(5) atoms to form PBa3In3 octahedra that share corners with two equivalent P(2)Ba3In3 octahedra, corners with two equivalent P(4)Ba3In3 octahedra, corners with three equivalent P(3)Ba3In3 octahedra, edges with two equivalent P(1)Ba2In4 octahedra, edges with two equivalent P(5)Ba3In3 octahedra, edges with three equivalent P(4)Ba3In3 octahedra, and  a faceface with one P(2)Ba3In3 octahedra. The corner-sharing octahedral tilt angles range from 15-61°. In the third P site, P(1) is bonded to two equivalent Ba(2), one In(4), one In(5), and two equivalent In(3) atoms to form PBa2In4 octahedra that share corners with two equivalent P(3)Ba3In3 octahedra, corners with two equivalent P(4)Ba3In3 octahedra, corners with four equivalent P(2)Ba3In3 octahedra, edges with two equivalent P(1)Ba2In4 octahedra, edges with two equivalent P(5)Ba3In3 octahedra, and edges with three equivalent P(3)Ba3In3 octahedra. The corner-sharing octahedral tilt angles range from 25-68°. In the fourth P site, P(2) is bonded to one Ba(2), two equivalent Ba(1), one In(3), and two equivalent In(1) atoms to form distorted PBa3In3 octahedra that share  a cornercorner with one P(3)Ba3In3 octahedra, corners with two equivalent P(5)Ba3In3 octahedra, corners with four equivalent P(1)Ba2In4 octahedra, corners with four equivalent P(4)Ba3In3 octahedra, edges with two equivalent P(2)Ba3In3 octahedra, edges with two equivalent P(3)Ba3In3 octahedra,  a faceface with one P(4)Ba3In3 octahedra, and  a faceface with one P(5)Ba3In3 octahedra. The corner-sharing octahedral tilt angles range from 36-65°. In the fifth P site, P(3) is bonded to three equivalent Ba(2), one In(1), and two equivalent In(4) atoms to form PBa3In3 octahedra that share  a cornercorner with one P(2)Ba3In3 octahedra, corners with two equivalent P(1)Ba2In4 octahedra, corners with three equivalent P(5)Ba3In3 octahedra, edges with two equivalent P(2)Ba3In3 octahedra, edges with three equivalent P(1)Ba2In4 octahedra, and edges with four equivalent P(3)Ba3In3 octahedra. The corner-sharing octahedral tilt angles range from 25-55°.
Ba2(InP)5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent P(2), two equivalent P(5), and three equivalent P(4) atoms to form distorted BaP7 pentagonal bipyramids that share  a cornercorner with one In(3)P4 tetrahedra, edges with two equivalent Ba(1)P7 pentagonal bipyramids, edges with two equivalent In(3)P4 tetrahedra, and faces with two equivalent Ba(1)P7 pentagonal bipyramids. Both Ba(1)-P(2) bond lengths are 3.31 Å. Both Ba(1)-P(5) bond lengths are 3.27 Å. There are two shorter (3.32 Å) and one longer (3.33 Å) Ba(1)-P(4) bond length. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one P(2), one P(5), two equivalent P(1), and three equivalent P(3) atoms. The Ba(2)-P(2) bond length is 3.56 Å. The Ba(2)-P(5) bond length is 3.35 Å. Both Ba(2)-P(1) bond lengths are 3.44 Å. There are two shorter (3.30 Å) and one longer (3.41 Å) Ba(2)-P(3) bond length. There are five inequivalent In sites. In the first In site, In(1) is bonded in a distorted trigonal non-coplanar geometry to one P(3) and two equivalent P(2) atoms. The In(1)-P(3) bond length is 2.66 Å. Both In(1)-P(2) bond lengths are 2.64 Å. In the second In site, In(2) is bonded in a distorted trigonal non-coplanar geometry to one P(5) and two equivalent P(4) atoms. The In(2)-P(5) bond length is 2.63 Å. Both In(2)-P(4) bond lengths are 2.65 Å. In the third In site, In(3) is bonded to one P(2), one P(4), and two equivalent P(1) atoms to form InP4 tetrahedra that share  a cornercorner with one Ba(1)P7 pentagonal bipyramid, corners with two equivalent In(3)P4 tetrahedra, and edges with two equivalent Ba(1)P7 pentagonal bipyramids. The In(3)-P(2) bond length is 2.64 Å. The In(3)-P(4) bond length is 2.63 Å. Both In(3)-P(1) bond lengths are 2.66 Å. In the fourth In site, In(4) is bonded in a distorted trigonal non-coplanar geometry to one P(1) and two equivalent P(3) atoms. The In(4)-P(1) bond length is 2.74 Å. Both In(4)-P(3) bond lengths are 2.66 Å. In the fifth In site, In(5) is bonded in a distorted trigonal non-coplanar geometry to one P(1) and two equivalent P(5) atoms. The In(5)-P(1) bond length is 2.69 Å. Both In(5)-P(5) bond lengths are 2.62 Å. There are five inequivalent P sites. In the first P site, P(4) is bonded to three equivalent Ba(1), one In(3), and two equivalent In(2) atoms to form PBa3In3 octahedra that share corners with two equivalent P(1)Ba2In4 octahedra, corners with two equivalent P(5)Ba3In3 octahedra, corners with four equivalent P(2)Ba3In3 octahedra, edges with three equivalent P(5)Ba3In3 octahedra, edges with four equivalent P(4)Ba3In3 octahedra, and  a faceface with one P(2)Ba3In3 octahedra. The corner-sharing octahedral tilt angles range from 15-68°. In the second P site, P(5) is bonded to one Ba(2), two equivalent Ba(1), one In(2), and two equivalent In(5) atoms to form PBa3In3 octahedra that share corners with two equivalent P(2)Ba3In3 octahedra, corners with two equivalent P(4)Ba3In3 octahedra, corners with three equivalent P(3)Ba3In3 octahedra, edges with two equivalent P(1)Ba2In4 octahedra, edges with two equivalent P(5)Ba3In3 octahedra, edges with three equivalent P(4)Ba3In3 octahedra, and  a faceface with one P(2)Ba3In3 octahedra. The corner-sharing octahedral tilt angles range from 15-61°. In the third P site, P(1) is bonded to two equivalent Ba(2), one In(4), one In(5), and two equivalent In(3) atoms to form PBa2In4 octahedra that share corners with two equivalent P(3)Ba3In3 octahedra, corners with two equivalent P(4)Ba3In3 octahedra, corners with four equivalent P(2)Ba3In3 octahedra, edges with two equivalent P(1)Ba2In4 octahedra, edges with two equivalent P(5)Ba3In3 octahedra, and edges with three equivalent P(3)Ba3In3 octahedra. The corner-sharing octahedral tilt angles range from 25-68°. In the fourth P site, P(2) is bonded to one Ba(2), two equivalent Ba(1), one In(3), and two equivalent In(1) atoms to form distorted PBa3In3 octahedra that share  a cornercorner with one P(3)Ba3In3 octahedra, corners with two equivalent P(5)Ba3In3 octahedra, corners with four equivalent P(1)Ba2In4 octahedra, corners with four equivalent P(4)Ba3In3 octahedra, edges with two equivalent P(2)Ba3In3 octahedra, edges with two equivalent P(3)Ba3In3 octahedra,  a faceface with one P(4)Ba3In3 octahedra, and  a faceface with one P(5)Ba3In3 octahedra. The corner-sharing octahedral tilt angles range from 36-65°. In the fifth P site, P(3) is bonded to three equivalent Ba(2), one In(1), and two equivalent In(4) atoms to form PBa3In3 octahedra that share  a cornercorner with one P(2)Ba3In3 octahedra, corners with two equivalent P(1)Ba2In4 octahedra, corners with three equivalent P(5)Ba3In3 octahedra, edges with two equivalent P(2)Ba3In3 octahedra, edges with three equivalent P(1)Ba2In4 octahedra, and edges with four equivalent P(3)Ba3In3 octahedra. The corner-sharing octahedral tilt angles range from 25-55°.