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Title: 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; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Y2InCl7; Cl-In-Y
OSTI Identifier:
1203670
DOI:
https://doi.org/10.17188/1203670

Citation Formats

The Materials Project. Materials Data on Y2InCl7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203670.
The Materials Project. Materials Data on Y2InCl7 by Materials Project. United States. doi:https://doi.org/10.17188/1203670
The Materials Project. 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 00:00:00 EDT 2020
@article{osti_1203670,
title = {Materials Data on Y2InCl7 by Materials Project},
author = {The 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}
}