U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Y2InCl7 by Materials Project
Abstract
Y2Cl7In crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of four indium molecules and two Y2Cl7 sheets oriented in the (0, 0, 1) direction. In each Y2Cl7 sheet, there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to seven Cl1- atoms to form a mixture of distorted edge and face-sharing YCl7 pentagonal bipyramids. There are a spread of Y–Cl bond distances ranging from 2.71–2.79 Å. In the second Y3+ site, Y3+ is bonded to seven Cl1- atoms to form a mixture of distorted edge and face-sharing YCl7 pentagonal bipyramids. There are a spread of Y–Cl bond distances ranging from 2.71–2.74 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two Y3+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two Y3+ atoms. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to two Y3+ atoms. In the fourth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Y3+ atoms.
- Publication Date:
- Other Number(s):
- mp-29304
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Cl-In-Y; Y2InCl7; crystal structure
- OSTI Identifier:
- 1203670
- DOI:
- https://doi.org/10.17188/1203670
Citation Formats
Materials Data on Y2InCl7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1203670.
Materials Data on Y2InCl7 by Materials Project. United States. doi:https://doi.org/10.17188/1203670
2020.
"Materials Data on Y2InCl7 by Materials Project". United States. doi:https://doi.org/10.17188/1203670. https://www.osti.gov/servlets/purl/1203670. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1203670,
title = {Materials Data on Y2InCl7 by Materials Project},
abstractNote = {Y2Cl7In crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of four indium molecules and two Y2Cl7 sheets oriented in the (0, 0, 1) direction. In each Y2Cl7 sheet, there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to seven Cl1- atoms to form a mixture of distorted edge and face-sharing YCl7 pentagonal bipyramids. There are a spread of Y–Cl bond distances ranging from 2.71–2.79 Å. In the second Y3+ site, Y3+ is bonded to seven Cl1- atoms to form a mixture of distorted edge and face-sharing YCl7 pentagonal bipyramids. There are a spread of Y–Cl bond distances ranging from 2.71–2.74 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two Y3+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two Y3+ atoms. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to two Y3+ atoms. In the fourth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Y3+ atoms.},
doi = {10.17188/1203670},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}