Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “O-Rb-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.

3 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Rb2ZrO3 by Materials Project

Rb2ZrO3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.79–2.86 Å. In the second Rb1+ site, Rb1+ is bonded in a 2-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.88–3.37 Å. Zr4+ is bonded to five O2- atoms to form edge-sharing ZrO5 trigonal bipyramids. There are a spread of Zr–O bond distances ranging from 1.97–2.18 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+ and two equivalent Zr4+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four Rb1+ and one Zr4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+ and two equivalent Zr4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2ZrO3 by Materials Project

Rb2ZrO3 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.93–3.28 Å. In the second Rb1+ site, Rb1+ is bonded to seven O2- atoms to form distorted RbO7 pentagonal bipyramids that share corners with four equivalent RbO7 pentagonal bipyramids, a cornercorner with one ZrO4 tetrahedra, edges with three equivalent RbO7 pentagonal bipyramids, and edges with four equivalent ZrO4 tetrahedra. There are a spread of Rb–O bond distances ranging from 2.89–3.27 Å. Zr4+ is bonded to four O2- atoms to form ZrO4 tetrahedra that share a cornercorner with one RbO7 pentagonal bipyramid, corners with two equivalent ZrO4 tetrahedra, and edges with four equivalent RbO7 pentagonal bipyramids. There are a spread of Zr–O bond distances ranging from 1.95–2.03 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Rb1+ and two equivalent Zr4+ atoms. In the second O2- site, O2- is bonded in a 6-coordinate geometry to five Rb1+ and one Zr4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to five Rb1+ and one Zr4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2Zr2O5 by Materials Project

Rb2Zr2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to eight equivalent O2- atoms to form distorted RbO8 hexagonal bipyramids that share corners with eight equivalent RbO12 cuboctahedra, edges with four equivalent RbO8 hexagonal bipyramids, edges with eight equivalent ZrO5 square pyramids, and faces with two equivalent RbO12 cuboctahedra. All Rb–O bond lengths are 2.96 Å. In the second Rb1+ site, Rb1+ is bonded to twelve O2- atoms to form RbO12 cuboctahedra that share corners with four equivalent RbO12 cuboctahedra, corners with eight equivalent RbO8 hexagonal bipyramids, faces with four equivalent RbO12 cuboctahedra, faces with two equivalent RbO8 hexagonal bipyramids, and faces with eight equivalent ZrO5 square pyramids. There are four shorter (2.91 Å) and eight longer (3.21 Å) Rb–O bond lengths. Zr4+ is bonded to five O2- atoms to form distorted ZrO5 square pyramids that share corners with five equivalent ZrO5 square pyramids, edges with four equivalent RbO8 hexagonal bipyramids, and faces with four equivalent RbO12 cuboctahedra. There are one shorter (2.05 Å) and four longer (2.10 Å) Zr–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+ and two equivalent Zr4+ atoms. In the second O2- site, O2- is bonded to four equivalent Rb1+ and two equivalent Zr4+ atoms to form a mixture of distorted edge and corner-sharing ORb4Zr2 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗