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Title: Materials Data on LaI3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1202119· OSTI ID:1202119

LaI3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two LaI3 sheets oriented in the (0, 1, 0) direction. La3+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of La–I bond distances ranging from 3.19–3.49 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent La3+ atoms. In the second I1- site, I1- is bonded in an L-shaped geometry to two equivalent La3+ atoms.

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:
1202119
Report Number(s):
mp-27979
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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