Ba3SnP3 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one Sn(1), two equivalent P(1), two equivalent P(2), and two equivalent P(3) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to two equivalent P(1), two equivalent P(3), and three equivalent P(2) atoms. In the third Ba site, Ba(3) is bonded in a 5-coordinate geometry to two equivalent P(1), two equivalent P(2), and two equivalent P(3) atoms. Sn(1) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one P(1), one P(2), and one P(3) atom. There are three inequivalent P sites. In the first P site, P(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), two equivalent Ba(3), and one Sn(1) atom to form a mixture of distorted edge, corner, and face-sharing PBa6Sn pentagonal bipyramids. In the second P site, P(2) is bonded in a 8-coordinate geometry to two equivalent Ba(1), two equivalent Ba(3), three equivalent Ba(2), and one Sn(1) atom. In the third P site, P(3) is bonded to two equivalent Ba(1), two equivalent Ba(2), two equivalent Ba(3), and one Sn(1) atom to form a mixture of distorted edge, corner, and face-sharing PBa6Sn pentagonal bipyramids.
Ba3SnP3 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one Sn(1), two equivalent P(1), two equivalent P(2), and two equivalent P(3) atoms. The Ba(1)-Sn(1) bond length is 3.54 Å. There is one shorter (3.33 Å) and one longer (3.36 Å) Ba(1)-P(1) bond length. There is one shorter (3.30 Å) and one longer (3.53 Å) Ba(1)-P(2) bond length. There is one shorter (3.35 Å) and one longer (3.38 Å) Ba(1)-P(3) bond length. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to two equivalent P(1), two equivalent P(3), and three equivalent P(2) atoms. There is one shorter (3.15 Å) and one longer (3.75 Å) Ba(2)-P(1) bond length. There is one shorter (3.40 Å) and one longer (3.64 Å) Ba(2)-P(3) bond length. There are a spread of Ba(2)-P(2) bond distances ranging from 3.52-3.89 Å. In the third Ba site, Ba(3) is bonded in a 5-coordinate geometry to two equivalent P(1), two equivalent P(2), and two equivalent P(3) atoms. There is one shorter (3.21 Å) and one longer (3.37 Å) Ba(3)-P(1) bond length. There is one shorter (3.32 Å) and one longer (3.80 Å) Ba(3)-P(2) bond length. There is one shorter (3.19 Å) and one longer (3.40 Å) Ba(3)-P(3) bond length. Sn(1) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one P(1), one P(2), and one P(3) atom. The Sn(1)-P(1) bond length is 2.57 Å. The Sn(1)-P(2) bond length is 2.52 Å. The Sn(1)-P(3) bond length is 2.56 Å. There are three inequivalent P sites. In the first P site, P(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), two equivalent Ba(3), and one Sn(1) atom to form a mixture of distorted edge, corner, and face-sharing PBa6Sn pentagonal bipyramids. In the second P site, P(2) is bonded in a 8-coordinate geometry to two equivalent Ba(1), two equivalent Ba(3), three equivalent Ba(2), and one Sn(1) atom. In the third P site, P(3) is bonded to two equivalent Ba(1), two equivalent Ba(2), two equivalent Ba(3), and one Sn(1) atom to form a mixture of distorted edge, corner, and face-sharing PBa6Sn pentagonal bipyramids.