Materials Data on SmIn2Cl5 by Materials Project
Abstract
SmIn2Cl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded to seven Cl1- atoms to form edge-sharing SmCl7 pentagonal bipyramids. There are a spread of Sm–Cl bond distances ranging from 2.75–2.83 Å. In1+ is bonded in a 5-coordinate geometry to five Cl1- atoms. There are a spread of In–Cl bond distances ranging from 3.20–3.29 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Sm3+ and two equivalent In1+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Sm3+ atoms. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Sm3+ and four equivalent In1+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Sm3+ and four equivalent In1+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1208961
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; SmIn2Cl5; Cl-In-Sm
- OSTI Identifier:
- 1662599
- DOI:
- https://doi.org/10.17188/1662599
Citation Formats
The Materials Project. Materials Data on SmIn2Cl5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1662599.
The Materials Project. Materials Data on SmIn2Cl5 by Materials Project. United States. doi:https://doi.org/10.17188/1662599
The Materials Project. 2020.
"Materials Data on SmIn2Cl5 by Materials Project". United States. doi:https://doi.org/10.17188/1662599. https://www.osti.gov/servlets/purl/1662599. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1662599,
title = {Materials Data on SmIn2Cl5 by Materials Project},
author = {The Materials Project},
abstractNote = {SmIn2Cl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded to seven Cl1- atoms to form edge-sharing SmCl7 pentagonal bipyramids. There are a spread of Sm–Cl bond distances ranging from 2.75–2.83 Å. In1+ is bonded in a 5-coordinate geometry to five Cl1- atoms. There are a spread of In–Cl bond distances ranging from 3.20–3.29 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Sm3+ and two equivalent In1+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Sm3+ atoms. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Sm3+ and four equivalent In1+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Sm3+ and four equivalent In1+ atoms.},
doi = {10.17188/1662599},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}