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Materials Data on LuB2Ru by Materials Project

LuRuB2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Lu3+ is bonded in a 8-coordinate geometry to eight equivalent B3- atoms. There are a spread of Lu–B bond distances ranging from 2.57–2.93 Å. Ru3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. There are a spread of Ru–B bond distances ranging from 2.23–2.26 Å. B3- is bonded in a 9-coordinate geometry to four equivalent Lu3+, three equivalent Ru3+, and two equivalent B3- atoms. There is one shorter (1.75 Å) and one longer (1.86 Å) B–B bond length.

36 MATERIALS SCIENCE↗

Materials Data on LuB2Ru3 by Materials Project

LuRu3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to two equivalent Lu, twelve equivalent Ru, and six equivalent B atoms. Both Lu–Lu bond lengths are 3.03 Å. All Lu–Ru bond lengths are 3.13 Å. All Lu–B bond lengths are 3.16 Å. Ru is bonded in a distorted square co-planar geometry to four equivalent Lu and four equivalent B atoms. All Ru–B bond lengths are 2.19 Å. B is bonded in a 6-coordinate geometry to three equivalent Lu and six equivalent Ru atoms.

36 MATERIALS SCIENCE↗

Materials Data on Lu(BRu)4 by Materials Project

LuRu4B4 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Lu3+ is bonded in a 12-coordinate geometry to twelve equivalent B3- atoms. There are a spread of Lu–B bond distances ranging from 2.93–3.22 Å. Ru+2.25+ is bonded to five equivalent B3- atoms to form a mixture of distorted edge and corner-sharing RuB5 trigonal bipyramids. There are a spread of Ru–B bond distances ranging from 2.14–2.29 Å. B3- is bonded in a 6-coordinate geometry to three equivalent Lu3+, five equivalent Ru+2.25+, and one B3- atom. The B–B bond length is 1.78 Å.

36 MATERIALS SCIENCE↗

Materials Data on LuB4Ru by Materials Project

LuRuB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Lu3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Lu–B bond distances ranging from 2.60–2.75 Å. Ru3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Ru–B bond distances ranging from 2.24–2.39 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Lu3+, two equivalent Ru3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.76–1.86 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Lu3+, two equivalent Ru3+, and three B+1.50- atoms. Both B–B bond lengths are 1.73 Å. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Lu3+, four equivalent Ru3+, and three B+1.50- atoms. There is one shorter (1.72 Å) and one longer (1.74 Å) B–B bond length. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Lu3+, two equivalent Ru3+, and three B+1.50- atoms.

36 MATERIALS SCIENCE↗