Ba5P3O13 crystallizes in the hexagonal P6_3 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one O(1), one O(4), one O(5), two equivalent O(2), and two equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(4) atoms. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(3), and three equivalent O(4) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(4) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Ba(3), and one P(1) atom. In the second O site, O(5) is bonded in a trigonal non-coplanar geometry to three equivalent Ba(1) atoms. In the third O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Ba(3), and one P(1) atom. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one P(1) atom. In the fifth O site, O(3) is bonded in a distorted single-bond geometry to one Ba(3), two equivalent Ba(1), and one P(1) atom.
Ba5P3O13 crystallizes in the hexagonal P6_3 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one O(1), one O(4), one O(5), two equivalent O(2), and two equivalent O(3) atoms. The Ba(1)-O(1) bond length is 2.71 Å. The Ba(1)-O(4) bond length is 2.96 Å. The Ba(1)-O(5) bond length is 2.69 Å. There is one shorter (2.80 Å) and one longer (2.84 Å) Ba(1)-O(2) bond length. There is one shorter (2.73 Å) and one longer (2.90 Å) Ba(1)-O(3) bond length. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(4) atoms. All Ba(2)-O(1) bond lengths are 2.71 Å. All Ba(2)-O(2) bond lengths are 3.16 Å. All Ba(2)-O(4) bond lengths are 2.74 Å. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(3), and three equivalent O(4) atoms. All Ba(3)-O(1) bond lengths are 2.78 Å. All Ba(3)-O(3) bond lengths are 3.04 Å. All Ba(3)-O(4) bond lengths are 2.81 Å. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. The P(1)-O(1) bond length is 1.56 Å. The P(1)-O(2) bond length is 1.56 Å. The P(1)-O(3) bond length is 1.56 Å. The P(1)-O(4) bond length is 1.56 Å. There are five inequivalent O sites. In the first O site, O(4) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Ba(3), and one P(1) atom. In the second O site, O(5) is bonded in a trigonal non-coplanar geometry to three equivalent Ba(1) atoms. In the third O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Ba(3), and one P(1) atom. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one P(1) atom. In the fifth O site, O(3) is bonded in a distorted single-bond geometry to one Ba(3), two equivalent Ba(1), and one P(1) atom.