Ba3P4O13 crystallizes in the triclinic P1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(13), one O(3), one O(6), and one O(7) atom. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one O(11), one O(3), one O(4), one O(5), one O(7), and one O(9) atom. In the third Ba site, Ba(3) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(3), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded in a distorted trigonal non-coplanar geometry to one O(11), one O(13), and one O(4) atom. In the second P site, P(2) is bonded in a trigonal non-coplanar geometry to one O(2), one O(5), and one O(7) atom. In the third P site, P(3) is bonded in a trigonal non-coplanar geometry to one O(12), one O(6), and one O(8) atom. In the fourth P site, P(4) is bonded in a tetrahedral geometry to one O(1), one O(10), one O(3), and one O(9) atom. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one P(4) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one P(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Ba(3), and one P(4) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(3), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Ba(3) and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(3), and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(3), and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Ba(1), one P(3), and one O(13) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Ba(1), one P(1), and one O(12) atom.
Ba3P4O13 crystallizes in the triclinic P1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(13), one O(3), one O(6), and one O(7) atom. The Ba(1)-O(10) bond length is 2.69 Å. The Ba(1)-O(12) bond length is 2.93 Å. The Ba(1)-O(13) bond length is 2.85 Å. The Ba(1)-O(3) bond length is 2.93 Å. The Ba(1)-O(6) bond length is 2.75 Å. The Ba(1)-O(7) bond length is 2.80 Å. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one O(11), one O(3), one O(4), one O(5), one O(7), and one O(9) atom. The Ba(2)-O(11) bond length is 2.73 Å. The Ba(2)-O(3) bond length is 2.74 Å. The Ba(2)-O(4) bond length is 2.63 Å. The Ba(2)-O(5) bond length is 2.62 Å. The Ba(2)-O(7) bond length is 2.67 Å. The Ba(2)-O(9) bond length is 2.63 Å. In the third Ba site, Ba(3) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(3), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. The Ba(3)-O(10) bond length is 2.92 Å. The Ba(3)-O(11) bond length is 2.69 Å. The Ba(3)-O(3) bond length is 2.80 Å. The Ba(3)-O(4) bond length is 2.95 Å. The Ba(3)-O(5) bond length is 3.13 Å. The Ba(3)-O(6) bond length is 2.78 Å. The Ba(3)-O(8) bond length is 2.78 Å. The Ba(3)-O(9) bond length is 2.80 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded in a distorted trigonal non-coplanar geometry to one O(11), one O(13), and one O(4) atom. The P(1)-O(11) bond length is 1.56 Å. The P(1)-O(13) bond length is 1.89 Å. The P(1)-O(4) bond length is 1.56 Å. In the second P site, P(2) is bonded in a trigonal non-coplanar geometry to one O(2), one O(5), and one O(7) atom. The P(2)-O(2) bond length is 1.65 Å. The P(2)-O(5) bond length is 1.50 Å. The P(2)-O(7) bond length is 1.53 Å. In the third P site, P(3) is bonded in a trigonal non-coplanar geometry to one O(12), one O(6), and one O(8) atom. The P(3)-O(12) bond length is 1.65 Å. The P(3)-O(6) bond length is 1.52 Å. The P(3)-O(8) bond length is 1.50 Å. In the fourth P site, P(4) is bonded in a tetrahedral geometry to one O(1), one O(10), one O(3), and one O(9) atom. The P(4)-O(1) bond length is 1.71 Å. The P(4)-O(10) bond length is 1.52 Å. The P(4)-O(3) bond length is 1.56 Å. The P(4)-O(9) bond length is 1.53 Å. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one P(4) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one P(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Ba(3), and one P(4) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(3), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Ba(3) and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(3), and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(3), and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Ba(1), one P(3), and one O(13) atom. The O(12)-O(13) bond length is 1.51 Å. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Ba(1), one P(1), and one O(12) atom.