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Materials Data on LuB2Os3 by Materials Project

LuOs3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Lu3+ is bonded to twelve equivalent Os1- atoms to form LuOs12 cuboctahedra that share corners with twelve equivalent LuOs12 cuboctahedra, edges with six equivalent LuOs12 cuboctahedra, edges with twelve equivalent BOs6 pentagonal pyramids, faces with two equivalent LuOs12 cuboctahedra, and faces with six equivalent BOs6 pentagonal pyramids. All Lu–Os bond lengths are 3.15 Å. Os1- is bonded in a distorted square co-planar geometry to four equivalent Lu3+ and four equivalent B atoms. All Os–B bond lengths are 2.20 Å. B is bonded to six equivalent Os1- atoms to form distorted BOs6 pentagonal pyramids that share corners with six equivalent BOs6 pentagonal pyramids, edges with six equivalent LuOs12 cuboctahedra, edges with three equivalent BOs6 pentagonal pyramids, faces with three equivalent LuOs12 cuboctahedra, and faces with two equivalent BOs6 pentagonal pyramids.

36 MATERIALS SCIENCE↗

Materials Data on LuB4Os by Materials Project

LuOsB4 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 2.61–2.76 Å. Os3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Os–B bond distances ranging from 2.24–2.41 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 Os3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.74–1.87 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Lu3+, two equivalent Os3+, and three B+1.50- atoms. The B–B bond length is 1.84 Å. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Lu3+, two equivalent Os3+, and three B+1.50- atoms. Both B–B bond lengths are 1.73 Å. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Lu3+, four equivalent Os3+, and three B+1.50- atoms. The B–B bond length is 1.73 Å.

36 MATERIALS SCIENCE↗