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Title: Materials Data on ErPt5 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1355314· OSTI ID:1355314

ErPt5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Er3+ is bonded in a distorted hexagonal planar geometry to eighteen Pt+0.60- atoms. There are six shorter (3.08 Å) and twelve longer (3.48 Å) Er–Pt bond lengths. There are two inequivalent Pt+0.60- sites. In the first Pt+0.60- site, Pt+0.60- is bonded to four equivalent Er3+ and eight Pt+0.60- atoms to form a mixture of face, edge, and corner-sharing PtEr4Pt8 cuboctahedra. There are four shorter (2.67 Å) and four longer (2.72 Å) Pt–Pt bond lengths. In the second Pt+0.60- site, Pt+0.60- is bonded in a 12-coordinate geometry to three equivalent Er3+ and nine Pt+0.60- atoms. All Pt–Pt bond lengths are 3.08 Å.

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:
1355314
Report Number(s):
mp-1025030
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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