Ba3P2 crystallizes in the tetragonal I-42d space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to one P(2), two equivalent P(1), and three equivalent P(3) atoms. In the second Ba site, Ba(2) is bonded in a 5-coordinate geometry to one P(1), two equivalent P(2), and two equivalent P(3) atoms. In the third Ba site, Ba(3) is bonded in a 5-coordinate geometry to one P(1), one P(2), and three equivalent P(3) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 8-coordinate geometry to two equivalent Ba(2), two equivalent Ba(3), and four equivalent Ba(1) atoms. In the second P site, P(2) is bonded in a 8-coordinate geometry to two equivalent Ba(1), two equivalent Ba(3), and four equivalent Ba(2) atoms. In the third P site, P(3) is bonded in a 8-coordinate geometry to two equivalent Ba(2), three equivalent Ba(1), and three equivalent Ba(3) atoms.
Ba3P2 crystallizes in the tetragonal I-42d space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to one P(2), two equivalent P(1), and three equivalent P(3) atoms. The Ba(1)-P(2) bond length is 3.67 Å. There is one shorter (3.19 Å) and one longer (3.56 Å) Ba(1)-P(1) bond length. There are a spread of Ba(1)-P(3) bond distances ranging from 3.23-3.89 Å. In the second Ba site, Ba(2) is bonded in a 5-coordinate geometry to one P(1), two equivalent P(2), and two equivalent P(3) atoms. The Ba(2)-P(1) bond length is 3.22 Å. There is one shorter (3.24 Å) and one longer (3.60 Å) Ba(2)-P(2) bond length. There is one shorter (3.14 Å) and one longer (3.63 Å) Ba(2)-P(3) bond length. In the third Ba site, Ba(3) is bonded in a 5-coordinate geometry to one P(1), one P(2), and three equivalent P(3) atoms. The Ba(3)-P(1) bond length is 3.58 Å. The Ba(3)-P(2) bond length is 3.28 Å. There are a spread of Ba(3)-P(3) bond distances ranging from 3.26-3.41 Å. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 8-coordinate geometry to two equivalent Ba(2), two equivalent Ba(3), and four equivalent Ba(1) atoms. In the second P site, P(2) is bonded in a 8-coordinate geometry to two equivalent Ba(1), two equivalent Ba(3), and four equivalent Ba(2) atoms. In the third P site, P(3) is bonded in a 8-coordinate geometry to two equivalent Ba(2), three equivalent Ba(1), and three equivalent Ba(3) atoms.