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Title: Materials Data on InPbCl3 by Materials Project

Abstract

InPbCl3 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one InPbCl3 sheet oriented in the (0, 0, 1) direction. In1+ is bonded in an L-shaped geometry to two equivalent Cl1- atoms. There are one shorter (3.12 Å) and one longer (3.13 Å) In–Cl bond lengths. Pb2+ is bonded to six Cl1- atoms to form a mixture of edge and corner-sharing PbCl6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are two shorter (2.92 Å) and four longer (2.93 Å) Pb–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to two equivalent In1+ and two equivalent Pb2+ atoms to form distorted corner-sharing ClIn2Pb2 tetrahedra. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Pb2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-998512
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; InPbCl3; Cl-In-Pb
OSTI Identifier:
1317340
DOI:
https://doi.org/10.17188/1317340

Citation Formats

The Materials Project. Materials Data on InPbCl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317340.
The Materials Project. Materials Data on InPbCl3 by Materials Project. United States. doi:https://doi.org/10.17188/1317340
The Materials Project. 2020. "Materials Data on InPbCl3 by Materials Project". United States. doi:https://doi.org/10.17188/1317340. https://www.osti.gov/servlets/purl/1317340. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1317340,
title = {Materials Data on InPbCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {InPbCl3 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one InPbCl3 sheet oriented in the (0, 0, 1) direction. In1+ is bonded in an L-shaped geometry to two equivalent Cl1- atoms. There are one shorter (3.12 Å) and one longer (3.13 Å) In–Cl bond lengths. Pb2+ is bonded to six Cl1- atoms to form a mixture of edge and corner-sharing PbCl6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are two shorter (2.92 Å) and four longer (2.93 Å) Pb–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to two equivalent In1+ and two equivalent Pb2+ atoms to form distorted corner-sharing ClIn2Pb2 tetrahedra. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Pb2+ atoms.},
doi = {10.17188/1317340},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}