Materials Data on U7Mo by Materials Project

Abstract

U7Mo crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are five inequivalent U sites. In the first U site, U is bonded in a 10-coordinate geometry to six U and two equivalent Mo atoms. There are four shorter (2.98 Å) and two longer (2.99 Å) U–U bond lengths. Both U–Mo bond lengths are 2.96 Å. In the second U site, U is bonded in a 4-coordinate geometry to four equivalent U and four equivalent Mo atoms. All U–U bond lengths are 2.86 Å. All U–Mo bond lengths are 2.98 Å. In the third U site, U is bonded in a distorted q6 geometry to ten U atoms. There are a spread of U–U bond distances ranging from 2.98–3.08 Å. In the fourth U site, U is bonded to ten U and two equivalent Mo atoms to form a mixture of distorted edge, face, and corner-sharing UU10Mo2 cuboctahedra. Both U–U bond lengths are 3.00 Å. Both U–Mo bond lengths are 3.55 Å. In the fifth U site, U is bonded in a distorted q6 geometry to ten U atoms. Both U–U bond lengths are 3.00 Å. Mo is bonded in a distorted body-centered cubic geometry to twelve U atoms.