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Title: Materials Data on Nd3S4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1201194· OSTI ID:1201194

Nd3S4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Nd+2.67+ is bonded to eight equivalent S2- atoms to form a mixture of distorted corner, edge, and face-sharing NdS8 hexagonal bipyramids. There are four shorter (2.89 Å) and four longer (3.06 Å) Nd–S bond lengths. S2- is bonded to six equivalent Nd+2.67+ atoms to form a mixture of distorted corner, edge, and face-sharing SNd6 octahedra. The corner-sharing octahedra tilt angles range from 17–50°.

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:
1201194
Report Number(s):
mp-2656
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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