Ba3In2P4O16 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(8), two equivalent O(3), and two equivalent O(6) atoms. In(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form InO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-48°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-52°. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to one Ba(2), one In(1), and one P(2) atom. In the second O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Ba(2), one In(1), and one P(2) atom. In the third O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one In(1), and one P(2) atom. In the fourth O site, O(8) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one P(2) atom. In the fifth O site, O(1) is bonded in a 3-coordinate geometry to one Ba(2), one In(1), and one P(1) atom. In the sixth O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), one In(1), and one P(1) atom. In the seventh O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one P(1) atom. In the eighth O site, O(4) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one In(1), and one P(1) atom.
Ba3In2P4O16 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms. Both Ba(1)-O(2) bond lengths are 2.70 Å. Both Ba(1)-O(3) bond lengths are 2.81 Å. Both Ba(1)-O(4) bond lengths are 2.87 Å. Both Ba(1)-O(7) bond lengths are 3.00 Å. Both Ba(1)-O(8) bond lengths are 2.91 Å. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(8), two equivalent O(3), and two equivalent O(6) atoms. The Ba(2)-O(1) bond length is 2.86 Å. The Ba(2)-O(2) bond length is 3.29 Å. The Ba(2)-O(4) bond length is 3.09 Å. The Ba(2)-O(5) bond length is 2.77 Å. The Ba(2)-O(8) bond length is 2.68 Å. There is one shorter (2.76 Å) and one longer (2.99 Å) Ba(2)-O(3) bond length. There is one shorter (3.09 Å) and one longer (3.49 Å) Ba(2)-O(6) bond length. In(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form InO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. The In(1)-O(1) bond length is 2.19 Å. The In(1)-O(2) bond length is 2.18 Å. The In(1)-O(4) bond length is 2.20 Å. The In(1)-O(5) bond length is 2.14 Å. The In(1)-O(6) bond length is 2.18 Å. The In(1)-O(7) bond length is 2.18 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-48°. The P(1)-O(1) bond length is 1.55 Å. The P(1)-O(2) bond length is 1.57 Å. The P(1)-O(3) bond length is 1.54 Å. The P(1)-O(4) bond length is 1.57 Å. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-52°. The P(2)-O(5) bond length is 1.58 Å. The P(2)-O(6) bond length is 1.56 Å. The P(2)-O(7) bond length is 1.55 Å. The P(2)-O(8) bond length is 1.54 Å. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to one Ba(2), one In(1), and one P(2) atom. In the second O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Ba(2), one In(1), and one P(2) atom. In the third O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one In(1), and one P(2) atom. In the fourth O site, O(8) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one P(2) atom. In the fifth O site, O(1) is bonded in a 3-coordinate geometry to one Ba(2), one In(1), and one P(1) atom. In the sixth O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), one In(1), and one P(1) atom. In the seventh O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one P(1) atom. In the eighth O site, O(4) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one In(1), and one P(1) atom.