Search NASA⌕ Search

SEARCH · Search NASA

Results for “Au-Br-Rb”

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.

5 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on RbAuBr3 by Materials Project

RbAuBr3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.52–3.89 Å. There are two inequivalent Au2+ sites. In the first Au2+ site, Au2+ is bonded in a square co-planar geometry to four equivalent Br1- atoms. All Au–Br bond lengths are 2.51 Å. In the second Au2+ site, Au2+ is bonded in a distorted octahedral geometry to six Br1- atoms. There are two shorter (2.45 Å) and four longer (3.23 Å) Au–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to three equivalent Rb1+ and two Au2+ atoms to form a mixture of distorted corner, edge, and face-sharing BrRb3Au2 square pyramids. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to three equivalent Rb1+ and one Au2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbAuBr4 by Materials Project

RbAuBr4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a distorted q6 geometry to ten Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.67–3.87 Å. Au3+ is bonded in a square co-planar geometry to four Br1- atoms. There are two shorter (2.47 Å) and two longer (2.48 Å) Au–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to three equivalent Rb1+ and one Au3+ atom to form a mixture of distorted corner and edge-sharing BrRb3Au tetrahedra. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to two equivalent Rb1+ and one Au3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3AuBr6 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbAuBr3 by Materials Project

RbAuBr3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Br1- atoms to form RbBr12 cuboctahedra that share corners with twelve equivalent RbBr12 cuboctahedra, faces with six equivalent RbBr12 cuboctahedra, and faces with eight equivalent AuBr6 octahedra. All Rb–Br bond lengths are 3.84 Å. Au2+ is bonded to six equivalent Br1- atoms to form AuBr6 octahedra that share corners with six equivalent AuBr6 octahedra and faces with eight equivalent RbBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Br bond lengths are 2.72 Å. Br1- is bonded to four equivalent Rb1+ and two equivalent Au2+ atoms to form a mixture of distorted edge, face, and corner-sharing BrRb4Au2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2AuBr by Materials Project

Rb2AuBr crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Rb2AuBr ribbons oriented in the (0, 1, 0) direction. Rb1+ is bonded in a linear geometry to one Au1- and one Br1- atom. The Rb–Au bond length is 3.22 Å. The Rb–Br bond length is 3.18 Å. Au1- is bonded in a linear geometry to two equivalent Rb1+ atoms. Br1- is bonded in a linear geometry to two equivalent Rb1+ atoms.

36 MATERIALS SCIENCE↗