Materials Data on Pu2B6Ru by Materials Project
Pu2RuB6 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Pu+3.50+ sites. In the first Pu+3.50+ site, Pu+3.50+ is bonded in a 2-coordinate geometry to fourteen B2- atoms. There are a spread of Pu–B bond distances ranging from 2.60–2.78 Å. In the second Pu+3.50+ site, Pu+3.50+ is bonded in a 12-coordinate geometry to one Pu+3.50+ and twelve B2- atoms. The Pu–Pu bond length is 2.58 Å. There are a spread of Pu–B bond distances ranging from 2.64–2.70 Å. Ru5+ is bonded in a 10-coordinate geometry to ten B2- atoms. There are a spread of Ru–B bond distances ranging from 2.33–2.38 Å. There are six inequivalent B2- sites. In the first B2- site, B2- is bonded in a 9-coordinate geometry to four equivalent Pu+3.50+, two equivalent Ru5+, and three B2- atoms. There are a spread of B–B bond distances ranging from 1.79–1.86 Å. In the second B2- site, B2- is bonded in a 3-coordinate geometry to four Pu+3.50+, two equivalent Ru5+, and three B2- atoms. There is one shorter (1.70 Å) and one longer (1.80 Å) B–B bond length. In the third B2- site, B2- is bonded in a 9-coordinate geometry to four Pu+3.50+, two equivalent Ru5+, and three B2- atoms. There is one shorter (1.77 Å) and one longer (1.87 Å) B–B bond length. In the fourth B2- site, B2- is bonded in a 3-coordinate geometry to four Pu+3.50+, two equivalent Ru5+, and three B2- atoms. There is one shorter (1.70 Å) and one longer (1.81 Å) B–B bond length. In the fifth B2- site, B2- is bonded in a 9-coordinate geometry to four Pu+3.50+, two equivalent Ru5+, and three B2- atoms. In the sixth B2- site, B2- is bonded in a 8-coordinate geometry to six Pu+3.50+ and two B2- atoms.