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Title: Materials Data on Nd(NiSn)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1195177· OSTI ID:1195177

Nd(NiSn)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to eight Ni and eight Sn atoms. There are four shorter (3.31 Å) and four longer (3.43 Å) Nd–Ni bond lengths. There are four shorter (3.37 Å) and four longer (3.44 Å) Nd–Sn bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to four equivalent Nd and five Sn atoms. There are one shorter (2.51 Å) and four longer (2.58 Å) Ni–Sn bond lengths. In the second Ni site, Ni is bonded in a 8-coordinate geometry to four equivalent Nd and four equivalent Sn atoms. All Ni–Sn bond lengths are 2.57 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to four equivalent Nd and five Ni atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Nd and four equivalent Ni 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:
1195177
Report Number(s):
mp-20000
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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