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Title: Materials Data on Yb(NdS2)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1195985· OSTI ID:1195985

Yb(NdS2)2 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. Yb2+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are two shorter (2.68 Å) and two longer (2.75 Å) Yb–S bond lengths. Nd3+ is bonded to five S2- atoms to form edge-sharing NdS5 square pyramids. There are a spread of Nd–S bond distances ranging from 2.71–2.95 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a rectangular see-saw-like geometry to one Yb2+ and three equivalent Nd3+ atoms. In the second S2- site, S2- is bonded in a distorted T-shaped geometry to one Yb2+ and 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:
1195985
Report Number(s):
mp-20797
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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