Materials Data on UMo13P9 by Materials Project
UMo13P9 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. U is bonded to six equivalent Mo and six equivalent P atoms to form distorted face-sharing UMo6P6 cuboctahedra. All U–Mo bond lengths are 3.12 Å. All U–P bond lengths are 2.91 Å. There are four inequivalent Mo sites. In the first Mo site, Mo is bonded in a 5-coordinate geometry to five P atoms. There are four shorter (2.46 Å) and one longer (2.72 Å) Mo–P bond lengths. In the second Mo site, Mo is bonded in a 6-coordinate geometry to two equivalent U and four P atoms. There are two shorter (2.41 Å) and two longer (2.53 Å) Mo–P bond lengths. In the third Mo site, Mo is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Mo–P bond distances ranging from 2.42–2.71 Å. In the fourth Mo site, Mo is bonded in a 6-coordinate geometry to six equivalent P atoms. All Mo–P bond lengths are 2.47 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 8-coordinate geometry to two equivalent U and six Mo atoms. In the second P site, P is bonded in a 8-coordinate geometry to eight Mo atoms. In the third P site, P is bonded in a 7-coordinate geometry to seven Mo atoms.