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Materials Data on B2Ru by Materials Project

RuB2 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Ru6+ is bonded in a 8-coordinate geometry to eight equivalent B3- atoms. There are a spread of Ru–B bond distances ranging from 2.17–2.28 Å. B3- is bonded in a 7-coordinate geometry to four equivalent Ru6+ and three equivalent B3- atoms. There is one shorter (1.83 Å) and two longer (1.89 Å) B–B bond length.

36 MATERIALS SCIENCE↗

Materials Data on B3Ru2 by Materials Project

Ru2B3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ru+4.50+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are one shorter (2.19 Å) and six longer (2.20 Å) Ru–B bond lengths. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded to six equivalent Ru+4.50+ atoms to form distorted edge-sharing BRu6 pentagonal pyramids. In the second B3- site, B3- is bonded in a 7-coordinate geometry to four equivalent Ru+4.50+ and three equivalent B3- atoms. All B–B bond lengths are 1.86 Å.

36 MATERIALS SCIENCE↗

Materials Data on B3Ru7 by Materials Project

Ru7B3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Ru sites. In the first Ru site, Ru is bonded in a 3-coordinate geometry to three equivalent B atoms. All Ru–B bond lengths are 2.19 Å. In the second Ru site, Ru is bonded in a 3-coordinate geometry to three equivalent B atoms. There are one shorter (2.14 Å) and two longer (2.21 Å) Ru–B bond lengths. In the third Ru site, Ru is bonded in a distorted water-like geometry to two equivalent B atoms. Both Ru–B bond lengths are 2.15 Å. B is bonded in a 6-coordinate geometry to six Ru atoms.

36 MATERIALS SCIENCE↗

Materials Data on B8Ru11 by Materials Project

Ru11B8 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are six inequivalent Ru+2.18+ sites. In the first Ru+2.18+ site, Ru+2.18+ is bonded in a 5-coordinate geometry to five B3- atoms. There are a spread of Ru–B bond distances ranging from 2.23–2.76 Å. In the second Ru+2.18+ site, Ru+2.18+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All Ru–B bond lengths are 2.25 Å. In the third Ru+2.18+ site, Ru+2.18+ is bonded in a 6-coordinate geometry to six B3- atoms. There are two shorter (2.29 Å) and four longer (2.32 Å) Ru–B bond lengths. In the fourth Ru+2.18+ site, Ru+2.18+ is bonded in a trigonal non-coplanar geometry to three B3- atoms. There are two shorter (2.12 Å) and one longer (2.19 Å) Ru–B bond lengths. In the fifth Ru+2.18+ site, Ru+2.18+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Ru–B bond distances ranging from 2.21–2.46 Å. In the sixth Ru+2.18+ site, Ru+2.18+ is bonded in a 4-coordinate geometry to four B3- atoms. There are a spread of Ru–B bond distances ranging from 2.15–2.53 Å. There are four inequivalent B3- sites. In the first B3- site, B3- is bonded in a 7-coordinate geometry to seven Ru+2.18+ atoms. In the second B3- site, B3- is bonded in a 7-coordinate geometry to six Ru+2.18+ and two equivalent B3- atoms. Both B–B bond lengths are 1.80 Å. In the third B3- site, B3- is bonded in a 2-coordinate geometry to eight Ru+2.18+ and one B3- atom. The B–B bond length is 2.01 Å. In the fourth B3- site, B3- is bonded in a 9-coordinate geometry to six Ru+2.18+ and three B3- atoms.

36 MATERIALS SCIENCE↗

Materials Data on BRu3 by Materials Project

Ru3B is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ru is bonded to eight equivalent Ru and four equivalent B atoms to form distorted RuB4Ru8 cuboctahedra that share corners with four equivalent BRu12 cuboctahedra, corners with fourteen equivalent RuB4Ru8 cuboctahedra, edges with six equivalent BRu12 cuboctahedra, edges with twelve equivalent RuB4Ru8 cuboctahedra, faces with four equivalent BRu12 cuboctahedra, and faces with sixteen equivalent RuB4Ru8 cuboctahedra. There are a spread of Ru–Ru bond distances ranging from 2.53–2.79 Å. There are two shorter (2.50 Å) and two longer (2.66 Å) Ru–B bond lengths. B is bonded to twelve equivalent Ru atoms to form BRu12 cuboctahedra that share corners with six equivalent BRu12 cuboctahedra, corners with twelve equivalent RuB4Ru8 cuboctahedra, edges with eighteen equivalent RuB4Ru8 cuboctahedra, faces with eight equivalent BRu12 cuboctahedra, and faces with twelve equivalent RuB4Ru8 cuboctahedra.

36 MATERIALS SCIENCE↗