Search NASA⌕ Search
Home/Archive/DOE OSTI

DOE OSTI · 1317049

Materials Data on SnH6CI3N by Materials Project

View original source ↗Read source document ↗Export metadata ↓

Abstract

CH3NH3SnI3 is High-temperature superconductor-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional and consists of four methylammonium molecules and one SnI3 framework. In the SnI3 framework, there are four inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six I1- atoms to form corner-sharing SnI6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are a spread of Sn–I bond distances ranging from 3.06–3.32 Å. In the second Sn4+ site, Sn4+ is bonded to six I1- atoms to form corner-sharing SnI6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are a spread of Sn–I bond distances ranging from 3.05–3.23 Å. In the third Sn4+ site, Sn4+ is bonded to six I1- atoms to form corner-sharing SnI6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are a spread of Sn–I bond distances ranging from 3.06–3.32 Å. In the fourth Sn4+ site, Sn4+ is bonded to six I1- atoms to form corner-sharing SnI6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are a spread of Sn–I bond distances ranging from 3.06–3.26 Å. There are twelve inequivalent I1- sites. In the first I1- site, I1- is bonded in a linear geometry to two Sn4+ atoms. In the second I1- site, I1- is bonded in a linear geometry to two Sn4+ atoms. In the third I1- site, I1- is bonded in a linear geometry to two Sn4+ atoms. In the fourth I1- site, I1- is bonded in a linear geometry to two Sn4+ atoms. In the fifth I1- site, I1- is bonded in a linear geometry to two Sn4+ atoms. In the sixth I1- site, I1- is bonded in a linear geometry to two Sn4+ atoms. In the seventh I1- site, I1- is bonded in a linear geometry to two Sn4+ atoms. In the eighth I1- site, I1- is bonded in a linear geometry to two Sn4+ atoms. In the ninth I1- site, I1- is bonded in a linear geometry to two Sn4+ atoms. In the tenth I1- site, I1- is bonded in a linear geometry to two Sn4+ atoms. In the eleventh I1- site, I1- is bonded in a linear geometry to two Sn4+ atoms. In the twelfth I1- site, I1- is bonded in a linear geometry to two Sn4+ atoms.

Explore related subjects

36 MATERIALS SCIENCEC-H-I-N-Sncrystal structureSnH6CI3N

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

2020-05-02. Materials Data on SnH6CI3N by Materials Project. https://doi.org/10.17188/1317049

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↗