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Title: Materials Data on NdBr3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1202116· OSTI ID:1202116

NdBr3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two NdBr3 sheets oriented in the (0, 1, 0) direction. Nd3+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Nd–Br bond distances ranging from 2.92–3.18 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nd3+ atoms. In the second Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Nd3+ 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:
1202116
Report Number(s):
mp-27975
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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