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Title: Materials Data on PrSn3Ru by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1734014· OSTI ID:1734014

PrRuSn3 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to four equivalent Ru and twelve equivalent Sn atoms. All Pr–Ru bond lengths are 3.49 Å. There are four shorter (3.44 Å) and eight longer (3.45 Å) Pr–Sn bond lengths. In the second Pr site, Pr is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms. All Pr–Sn bond lengths are 3.45 Å. Ru is bonded in a 6-coordinate geometry to three equivalent Pr and six equivalent Sn atoms. All Ru–Sn bond lengths are 2.70 Å. Sn is bonded in a 2-coordinate geometry to four Pr, two equivalent Ru, and three equivalent Sn atoms. There are one shorter (3.10 Å) and two longer (3.19 Å) Sn–Sn bond lengths.

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:
1734014
Report Number(s):
mp-1198507
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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