DOE OSTI2020
Yb2RuB6 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Yb2+ sites. In the first Yb2+ site, Yb2+ is bonded in a 12-coordinate geometry to fourteen B1- atoms. There are a spread of Yb–B bond distances ranging from 2.72–2.88 Å. In the second Yb2+ site, Yb2+ is bonded to twelve B1- atoms to form a mixture of edge and face-sharing YbB12 cuboctahedra. There are a spread of Yb–B bond distances ranging from 2.57–2.61 Å. Ru2+ is bonded in a 10-coordinate geometry to ten B1- atoms. There are a spread of Ru–B bond distances ranging from 2.37–2.40 Å. There are six inequivalent B1- sites. In the first B1- site, B1- is bonded in a 3-coordinate geometry to four equivalent Yb2+, two equivalent Ru2+, and three B1- atoms. There are a spread of B–B bond distances ranging from 1.76–1.81 Å. In the second B1- site, B1- is bonded in a 9-coordinate geometry to four Yb2+, two equivalent Ru2+, and three B1- atoms. There is one shorter (1.80 Å) and one longer (1.83 Å) B–B bond length. In the third B1- site, B1- is bonded in a 9-coordinate geometry to four Yb2+, two equivalent Ru2+, and three B1- atoms. There is one shorter (1.71 Å) and one longer (1.80 Å) B–B bond length. In the fourth B1- site, B1- is bonded in a 9-coordinate geometry to four Yb2+, two equivalent Ru2+, and three B1- atoms. There is one shorter (1.79 Å) and one longer (1.84 Å) B–B bond length. In the fifth B1- site, B1- is bonded in a 9-coordinate geometry to four Yb2+, two equivalent Ru2+, and three B1- atoms. In the sixth B1- site, B1- is bonded in a 9-coordinate geometry to six Yb2+ and three B1- atoms. The B–B bond length is 1.83 Å.