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Title: Materials Data on InSnCl3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1317352· OSTI ID:1317352

InSnCl3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three InSnCl3 sheets oriented in the (0, 0, 1) direction. In1+ is bonded to six equivalent Cl1- atoms to form distorted edge-sharing InCl6 pentagonal pyramids. There are three shorter (3.17 Å) and three longer (3.26 Å) In–Cl bond lengths. Sn2+ is bonded in a 3-coordinate geometry to three equivalent Cl1- atoms. All Sn–Cl bond lengths are 2.65 Å. Cl1- is bonded in a 3-coordinate geometry to two equivalent In1+ and one Sn2+ atom.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1317352
Report Number(s):
mp-998567
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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