Materials Data on U2B6Mo by Materials Project
U2MoB6 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent U3+ sites. In the first U3+ site, U3+ is bonded in a 2-coordinate geometry to fourteen B2- atoms. There are a spread of U–B bond distances ranging from 2.64–2.80 Å. In the second U3+ site, U3+ is bonded in a 12-coordinate geometry to one U3+ and twelve B2- atoms. The U–U bond length is 2.53 Å. There are a spread of U–B bond distances ranging from 2.63–2.74 Å. Mo6+ is bonded in a 10-coordinate geometry to ten B2- atoms. There are a spread of Mo–B bond distances ranging from 2.38–2.42 Å. There are six inequivalent B2- sites. In the first B2- site, B2- is bonded in a 3-coordinate geometry to four equivalent U3+, two equivalent Mo6+, and three B2- atoms. There are a spread of B–B bond distances ranging from 1.77–1.82 Å. In the second B2- site, B2- is bonded in a 3-coordinate geometry to four U3+, two equivalent Mo6+, and three B2- atoms. There is one shorter (1.69 Å) and one longer (1.81 Å) B–B bond length. In the third B2- site, B2- is bonded in a 3-coordinate geometry to four U3+, two equivalent Mo6+, and three B2- atoms. There is one shorter (1.76 Å) and one longer (1.79 Å) B–B bond length. In the fourth B2- site, B2- is bonded in a 3-coordinate geometry to four U3+, two equivalent Mo6+, and three B2- atoms. There is one shorter (1.68 Å) and one longer (1.82 Å) B–B bond length. In the fifth B2- site, B2- is bonded in a 3-coordinate geometry to four U3+, two equivalent Mo6+, and three B2- atoms. In the sixth B2- site, B2- is bonded in a 8-coordinate geometry to six U3+ and two B2- atoms.