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Title: Materials Data on ErAgPb by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1192138· OSTI ID:1192138

ErAgPb crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 5-coordinate geometry to six equivalent Ag and five Pb atoms. There are two shorter (3.33 Å) and four longer (3.62 Å) Er–Ag bond lengths. There are four shorter (3.19 Å) and one longer (3.24 Å) Er–Pb bond lengths. Ag is bonded in a 12-coordinate geometry to six equivalent Er, two equivalent Ag, and four Pb atoms. Both Ag–Ag bond lengths are 3.20 Å. There are two shorter (2.89 Å) and two longer (2.93 Å) Ag–Pb bond lengths. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a distorted q6 geometry to three equivalent Er and six equivalent Ag atoms. In the second Pb site, Pb is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Ag 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:
1192138
Report Number(s):
mp-16745
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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