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Title: Materials Data on Yb2PbAu2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1266472· OSTI ID:1266472

Yb2Au2Pb crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Pb atoms. There are two shorter (2.99 Å) and four longer (3.06 Å) Yb–Au bond lengths. All Yb–Pb bond lengths are 3.52 Å. In the second Yb site, Yb is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Pb atoms. There are two shorter (2.99 Å) and four longer (3.07 Å) Yb–Au bond lengths. All Yb–Pb bond lengths are 3.56 Å. Au is bonded in a 6-coordinate geometry to six Yb and two equivalent Pb atoms. Both Au–Pb bond lengths are 3.24 Å. Pb is bonded to eight Yb and four equivalent Au atoms to form a mixture of corner and face-sharing PbYb8Au4 cuboctahedra.

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:
1266472
Report Number(s):
mp-542245
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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