Search NASA⌕ Search
Home/Archive/DOE OSTI

DOE OSTI · 1283568

Materials Data on Yb7Cl15 by Materials Project

View original source ↗Read source document ↗Export metadata ↓

Abstract

Yb7Cl15 is Baddeleyite-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Yb+2.14+ sites. In the first Yb+2.14+ site, Yb+2.14+ is bonded to seven Cl1- atoms to form a mixture of distorted corner and edge-sharing YbCl7 pentagonal bipyramids. There are a spread of Yb–Cl bond distances ranging from 2.75–2.88 Å. In the second Yb+2.14+ site, Yb+2.14+ is bonded to seven Cl1- atoms to form a mixture of distorted corner and edge-sharing YbCl7 pentagonal bipyramids. There are a spread of Yb–Cl bond distances ranging from 2.75–2.99 Å. In the third Yb+2.14+ site, Yb+2.14+ is bonded in a 7-coordinate geometry to seven Cl1- atoms. There are a spread of Yb–Cl bond distances ranging from 2.73–2.87 Å. In the fourth Yb+2.14+ site, Yb+2.14+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Yb–Cl bond distances ranging from 2.71–3.06 Å. There are eight inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four Yb+2.14+ atoms to form a mixture of distorted corner and edge-sharing ClYb4 tetrahedra. In the second Cl1- site, Cl1- is bonded in a distorted trigonal planar geometry to three Yb+2.14+ atoms. In the third Cl1- site, Cl1- is bonded to four Yb+2.14+ atoms to form a mixture of distorted corner and edge-sharing ClYb4 tetrahedra. In the fourth Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Yb+2.14+ atoms. In the fifth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Yb+2.14+ atoms. In the sixth Cl1- site, Cl1- is bonded in a distorted bent 150 degrees geometry to two equivalent Yb+2.14+ atoms. In the seventh Cl1- site, Cl1- is bonded in a distorted trigonal planar geometry to three Yb+2.14+ atoms. In the eighth Cl1- site, Cl1- is bonded to four Yb+2.14+ atoms to form a mixture of distorted corner and edge-sharing ClYb4 tetrahedra.

Explore related subjects

36 MATERIALS SCIENCECl-Ybcrystal structureYb7Cl15

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

2020-04-29. Materials Data on Yb7Cl15 by Materials Project. https://doi.org/10.17188/1283568

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↗