Search NASA⌕ Search
Home/Archive/DOE OSTI

DOE OSTI · 1262672

Materials Data on Rb3Ti3Te11 by Materials Project

View original source ↗Read source document ↗Export metadata ↓

Abstract

Rb3Ti3Te11 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine Te+1.36- atoms. There are a spread of Rb–Te bond distances ranging from 3.73–4.26 Å. In the second Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten Te+1.36- atoms. There are a spread of Rb–Te bond distances ranging from 3.80–4.26 Å. In the third Rb1+ site, Rb1+ is bonded in a 12-coordinate geometry to twelve Te+1.36- atoms. There are a spread of Rb–Te bond distances ranging from 3.78–4.42 Å. There are three inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to seven Te+1.36- atoms to form TiTe7 pentagonal bipyramids that share a faceface with one TiTe6 octahedra and a faceface with one TiTe7 pentagonal bipyramid. There are a spread of Ti–Te bond distances ranging from 2.80–2.89 Å. In the second Ti4+ site, Ti4+ is bonded to six Te+1.36- atoms to form distorted face-sharing TiTe6 octahedra. There are a spread of Ti–Te bond distances ranging from 2.66–2.93 Å. In the third Ti4+ site, Ti4+ is bonded to seven Te+1.36- atoms to form TiTe7 pentagonal bipyramids that share a faceface with one TiTe6 octahedra and a faceface with one TiTe7 pentagonal bipyramid. There are a spread of Ti–Te bond distances ranging from 2.74–2.93 Å. There are eleven inequivalent Te+1.36- sites. In the first Te+1.36- site, Te+1.36- is bonded in a 6-coordinate geometry to two equivalent Rb1+ and two Ti4+ atoms. In the second Te+1.36- site, Te+1.36- is bonded in a 8-coordinate geometry to four Rb1+ and two Ti4+ atoms. In the third Te+1.36- site, Te+1.36- is bonded in a 4-coordinate geometry to three Rb1+ and one Ti4+ atom. In the fourth Te+1.36- site, Te+1.36- is bonded in a 3-coordinate geometry to two Rb1+ and two Ti4+ atoms. In the fifth Te+1.36- site, Te+1.36- is bonded in a 2-coordinate geometry to two Rb1+ and two Ti4+ atoms. In the sixth Te+1.36- site, Te+1.36- is bonded in a 2-coordinate geometry to two Rb1+, two Ti4+, and one Te+1.36- atom. The Te–Te bond length is 2.85 Å. In the seventh Te+1.36- site, Te+1.36- is bonded in a 2-coordinate geometry to three Rb1+ and two Ti4+ atoms. In the eighth Te+1.36- site, Te+1.36- is bonded in a 5-coordinate geometry to four Rb1+ and two Ti4+ atoms. In the ninth Te+1.36- site, Te+1.36- is bonded in a 5-coordinate geometry to three Rb1+ and two Ti4+ atoms. In the tenth Te+1.36- site, Te+1.36- is bonded in a 2-coordinate geometry to three Rb1+ and two Ti4+ atoms. In the eleventh Te+1.36- site, Te+1.36- is bonded in a 1-coordinate geometry to three Rb1+, one Ti4+, and one Te+1.36- atom.

Explore related subjects

36 MATERIALS SCIENCEcrystal structureRb-Te-TiRb3Ti3Te11

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

2020-04-29. Materials Data on Rb3Ti3Te11 by Materials Project. https://doi.org/10.17188/1262672

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related reports

DOE OSTI2026

Cyclic moisture reactivation of calcium sorbents for long duration thermochemical energy storage

The transition to a flexible and reliable energy infrastructure, using electro-thermal energy generation technologies such as geothermal, concentrated solar power, and nuclear, usually demands simultaneous advancement of thermal energy storage (TES) to support on-demand electricity generation and industrial applications while mitigating the inherent intermittency of renewable energy sources and power outages from direct energy generation. Among TES technologies, thermochemical energy storage (TCES) based on calcium looping emerges as a compelling high-power energy storage candidate due to its high reaction enthalpy, compatibility with elevated operating temperatures, and abundance of low-cost materials. However, the long-term durability of calcium-based sorbents for TCES is hindered by surface sintering and particle aggregation, leading to performance degradation over repeated thermal cycles. This study explores a moisture hydration-based strategy to regenerate a degraded calcium sorbent and mitigate performance degradation for long duration TCES. The addition of moisture transforms calcium oxide into calcium hydroxide and produces intercalation water layers, associated with a regenerated surface area and reduced calcium oxide crystallite size. Both these effects are beneficial in restoring the sorbents' reactivity for carbonization. Additionally, an optimized hydration-assisted reactivation protocol balances the recovered energy storage capacity with heating penalty required for moisture removal from hydrated samples, resulting in an enhanced energy storage capacity up to 176% compared to benchmark sorbents that undergo cycling without reactivation after 60 cycles. In conclusion, these results highlight the potential of hydration-assisted reactivation to enhance the long-term performance of TCES, providing an effective pathway to advancing electro-thermal storage technologies.

36 MATERIALS SCIENCE↗