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Materials Data on Ta(BMo)2 by Materials Project

Ta(MoB)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ta is bonded to eight equivalent Mo and four equivalent B atoms to form a mixture of distorted corner and face-sharing TaB4Mo8 cuboctahedra. All Ta–Mo bond lengths are 2.77 Å. All Ta–B bond lengths are 2.49 Å. Mo is bonded in a 10-coordinate geometry to four equivalent Ta and six equivalent B atoms. There are four shorter (2.39 Å) and two longer (2.47 Å) Mo–B bond lengths. B is bonded in a 9-coordinate geometry to two equivalent Ta, six equivalent Mo, and one B atom. The B–B bond length is 1.89 Å.

36 MATERIALS SCIENCE↗

Materials Data on TaB2Mo by Materials Project

TaMoB2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ta3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Ta–B bond distances ranging from 2.38–2.54 Å. Mo3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Mo–B bond distances ranging from 2.37–2.56 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Ta3+, three equivalent Mo3+, and two equivalent B3- atoms. Both B–B bond lengths are 1.86 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Ta3+, four equivalent Mo3+, and two equivalent B3- atoms.

36 MATERIALS SCIENCE↗