Search NASA⌕ Search

SEARCH · Search NASA

Results for “O-Tb-Zr”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

2 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TbZr4O10 by Materials Project

TbZr4O10 is Fluorite-derived structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Tb4+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Tb–O bond lengths are 2.33 Å. Zr4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.22–2.26 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Tb4+ and three equivalent Zr4+ atoms to form a mixture of edge and corner-sharing OTbZr3 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Zr4+ atoms to form a mixture of edge and corner-sharing OZr4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb2Zr2O7 by Materials Project

Tb2Zr2O7 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Tb3+ is bonded to seven O2- atoms to form distorted TbO7 pentagonal bipyramids that share corners with three equivalent ZrO5 trigonal bipyramids, edges with five equivalent TbO7 pentagonal bipyramids, and edges with three equivalent ZrO5 trigonal bipyramids. There are a spread of Tb–O bond distances ranging from 2.22–2.56 Å. Zr4+ is bonded to five O2- atoms to form distorted ZrO5 trigonal bipyramids that share corners with three equivalent TbO7 pentagonal bipyramids, a cornercorner with one ZrO5 trigonal bipyramid, edges with three equivalent TbO7 pentagonal bipyramids, and an edgeedge with one ZrO5 trigonal bipyramid. There are a spread of Zr–O bond distances ranging from 2.01–2.31 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tb3+ and two equivalent Zr4+ atoms to form a mixture of distorted edge and corner-sharing OTb2Zr2 trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Tb3+ and one Zr4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Tb3+ and one Zr4+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Zr4+ atoms.

36 MATERIALS SCIENCE↗