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Title: Materials Data on Nd2NCl3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1203029· OSTI ID:1203029

Nd2NCl3 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Nd3+ is bonded in a 7-coordinate geometry to two equivalent N3- and five Cl1- atoms. There are one shorter (2.34 Å) and one longer (2.35 Å) Nd–N bond lengths. There are a spread of Nd–Cl bond distances ranging from 2.84–3.03 Å. N3- is bonded to four equivalent Nd3+ atoms to form distorted edge-sharing NNd4 tetrahedra. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three equivalent Nd3+ atoms. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four 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:
1203029
Report Number(s):
mp-28970
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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