Mo6Mn6P7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 5-coordinate geometry to one P(1) and four equivalent P(2) atoms. In the second Mo site, Mo(2) is bonded in a 7-coordinate geometry to two equivalent Mn(2), one P(2), and four equivalent P(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one P(2), two equivalent P(1), and two equivalent P(3) atoms. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to two equivalent Mo(2), one P(1), one P(3), and two equivalent P(2) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 8-coordinate geometry to one Mo(1), four equivalent Mo(2), one Mn(2), and two equivalent Mn(1) atoms. In the second P site, P(2) is bonded in a 8-coordinate geometry to one Mo(2), four equivalent Mo(1), one Mn(1), and two equivalent Mn(2) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to three equivalent Mn(2) and six equivalent Mn(1) atoms.
Mo6Mn6P7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 5-coordinate geometry to one P(1) and four equivalent P(2) atoms. The Mo(1)-P(1) bond length is 2.44 Å. There are two shorter (2.46 Å) and two longer (2.49 Å) Mo(1)-P(2) bond lengths. In the second Mo site, Mo(2) is bonded in a 7-coordinate geometry to two equivalent Mn(2), one P(2), and four equivalent P(1) atoms. Both Mo(2)-Mn(2) bond lengths are 2.73 Å. The Mo(2)-P(2) bond length is 2.55 Å. There are two shorter (2.43 Å) and two longer (2.57 Å) Mo(2)-P(1) bond lengths. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one P(2), two equivalent P(1), and two equivalent P(3) atoms. The Mn(1)-P(2) bond length is 2.57 Å. Both Mn(1)-P(1) bond lengths are 2.48 Å. Both Mn(1)-P(3) bond lengths are 2.49 Å. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to two equivalent Mo(2), one P(1), one P(3), and two equivalent P(2) atoms. The Mn(2)-P(1) bond length is 2.44 Å. The Mn(2)-P(3) bond length is 2.35 Å. Both Mn(2)-P(2) bond lengths are 2.26 Å. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 8-coordinate geometry to one Mo(1), four equivalent Mo(2), one Mn(2), and two equivalent Mn(1) atoms. In the second P site, P(2) is bonded in a 8-coordinate geometry to one Mo(2), four equivalent Mo(1), one Mn(1), and two equivalent Mn(2) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to three equivalent Mn(2) and six equivalent Mn(1) atoms.