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Materials Data on TbOs3 by Materials Project

TbOs3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb3+ is bonded to twelve equivalent Os1- atoms to form a mixture of face and corner-sharing TbOs12 cuboctahedra. There are six shorter (2.92 Å) and six longer (2.95 Å) Tb–Os bond lengths. Os1- is bonded in a distorted see-saw-like geometry to four equivalent Tb3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Tb3Os by Materials Project

Tb3Os is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 3-coordinate geometry to three equivalent Os atoms. There are a spread of Tb–Os bond distances ranging from 2.86–3.20 Å. In the second Tb site, Tb is bonded in a distorted bent 150 degrees geometry to two equivalent Os atoms. There are one shorter (2.79 Å) and one longer (2.85 Å) Tb–Os bond lengths. Os is bonded in a 8-coordinate geometry to eight Tb atoms.

36 MATERIALS SCIENCE↗

Materials Data on TbOs2 by Materials Project

TbOs2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb3+ is bonded in a 12-coordinate geometry to twelve Os+1.50- atoms. There are a spread of Tb–Os bond distances ranging from 3.13–3.16 Å. There are two inequivalent Os+1.50- sites. In the first Os+1.50- site, Os+1.50- is bonded to six equivalent Tb3+ and six equivalent Os+1.50- atoms to form a mixture of edge, face, and corner-sharing OsTb6Os6 cuboctahedra. All Os–Os bond lengths are 2.73 Å. In the second Os+1.50- site, Os+1.50- is bonded to six equivalent Tb3+ and six Os+1.50- atoms to form a mixture of edge, face, and corner-sharing OsTb6Os6 cuboctahedra. There are two shorter (2.58 Å) and two longer (2.76 Å) Os–Os bond lengths.

36 MATERIALS SCIENCE↗