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Materials Data on Pr5(Sn5Rh2)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1758008· OSTI ID:1758008
Pr5(Rh2Sn5)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 8-coordinate geometry to four equivalent Rh and twelve Sn atoms. All Pr–Rh bond lengths are 3.54 Å. There are eight shorter (3.30 Å) and four longer (3.58 Å) Pr–Sn bond lengths. In the second Pr site, Pr is bonded to four equivalent Rh and eight Sn atoms to form distorted face-sharing PrSn8Rh4 cuboctahedra. All Pr–Rh bond lengths are 3.35 Å. There are two shorter (3.20 Å) and six longer (3.35 Å) Pr–Sn bond lengths. In the third Pr site, Pr is bonded in a 10-coordinate geometry to four equivalent Rh and ten Sn atoms. All Pr–Rh bond lengths are 3.67 Å. There are a spread of Pr–Sn bond distances ranging from 3.53–3.63 Å. Rh is bonded in a 10-coordinate geometry to five Pr and five Sn atoms. There are a spread of Rh–Sn bond distances ranging from 2.63–2.76 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to six Pr, two equivalent Rh, and one Sn atom. The Sn–Sn bond length is 2.80 Å. In the second Sn site, Sn is bonded in a 2-coordinate geometry to five Pr and two equivalent Rh atoms. In the third Sn site, Sn is bonded in a 2-coordinate geometry to four Pr and two equivalent Rh atoms.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1758008
Report Number(s):
mp-1200738
Country of Publication:
United States
Language:
English

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Related Subjects

36 MATERIALS SCIENCE
Pr-Rh-Sn
Pr5(Sn5Rh2)2
crystal structure