Ba3Bi2(PO4)4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(2), one O(3), one O(8), two equivalent O(4), two equivalent O(6), and three equivalent O(7) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(5), and four equivalent O(8) atoms. Bi(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(3), one O(4), one O(5), and one O(6) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Bi(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Bi(1), and one P(2) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Ba(1), one Bi(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Bi(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one P(2) atom.
Ba3Bi2(PO4)4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(2), one O(3), one O(8), two equivalent O(4), two equivalent O(6), and three equivalent O(7) atoms. The Ba(1)-O(2) bond length is 2.87 Å. The Ba(1)-O(3) bond length is 2.94 Å. The Ba(1)-O(8) bond length is 3.24 Å. There is one shorter (2.82 Å) and one longer (2.91 Å) Ba(1)-O(4) bond length. There is one shorter (2.73 Å) and one longer (2.89 Å) Ba(1)-O(6) bond length. There are a spread of Ba(1)-O(7) bond distances ranging from 2.84-3.21 Å. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(5), and four equivalent O(8) atoms. Both Ba(2)-O(2) bond lengths are 2.90 Å. Both Ba(2)-O(5) bond lengths are 2.82 Å. There are two shorter (2.75 Å) and two longer (2.85 Å) Ba(2)-O(8) bond lengths. Bi(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. The Bi(1)-O(1) bond length is 2.33 Å. The Bi(1)-O(2) bond length is 2.40 Å. The Bi(1)-O(3) bond length is 2.25 Å. The Bi(1)-O(4) bond length is 2.23 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(3), one O(4), one O(5), and one O(6) atom. The P(1)-O(3) bond length is 1.58 Å. The P(1)-O(4) bond length is 1.59 Å. The P(1)-O(5) bond length is 1.55 Å. The P(1)-O(6) bond length is 1.52 Å. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(7), and one O(8) atom. The P(2)-O(1) bond length is 1.59 Å. The P(2)-O(2) bond length is 1.59 Å. The P(2)-O(7) bond length is 1.54 Å. The P(2)-O(8) bond length is 1.54 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Bi(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Bi(1), and one P(2) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Ba(1), one Bi(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Bi(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one P(2) atom.