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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Tb3MnB7 by Materials Project

Tb3MnB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Tb+3.67+ sites. In the first Tb+3.67+ site, Tb+3.67+ is bonded in a 11-coordinate geometry to eleven B+2.14- atoms. There are a spread of Tb–B bond distances ranging from 2.62–2.74 Å. In the second Tb+3.67+ site, Tb+3.67+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are a spread of Tb–B bond distances ranging from 2.62–2.69 Å. Mn4+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are a spread of Mn–B bond distances ranging from 2.27–2.29 Å. There are four inequivalent B+2.14- sites. In the first B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to six Tb+3.67+ and three B+2.14- atoms. There is one shorter (1.91 Å) and two longer (1.97 Å) B–B bond length. In the second B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four Tb+3.67+, two equivalent Mn4+, and three B+2.14- atoms. There is one shorter (1.78 Å) and one longer (1.80 Å) B–B bond length. In the third B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four equivalent Tb+3.67+, two equivalent Mn4+, and three B+2.14- atoms. There is one shorter (1.71 Å) and one longer (1.98 Å) B–B bond length. In the fourth B+2.14- site, B+2.14- is bonded in a 8-coordinate geometry to four equivalent Tb+3.67+, two equivalent Mn4+, and two equivalent B+2.14- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbMnB4 by Materials Project

TbMnB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Tb4+ is bonded in a 4-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Tb–B bond distances ranging from 2.60–2.72 Å. Mn2+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Mn–B bond distances ranging from 2.25–2.29 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 Tb4+, two equivalent Mn2+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.80–1.85 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Tb4+, two equivalent Mn2+, and three B+1.50- atoms. There is one shorter (1.73 Å) and one longer (1.80 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Tb4+, four equivalent Mn2+, and three B+1.50- atoms. There is one shorter (1.69 Å) and one longer (1.73 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 Tb4+, two equivalent Mn2+, and three B+1.50- atoms.

36 MATERIALS SCIENCE↗