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Title: Materials Data on YbGePd by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1274661· OSTI ID:1274661

YbPdGe crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are four inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are four shorter (3.10 Å) and two longer (3.11 Å) Yb–Pd bond lengths. There are two shorter (3.15 Å) and four longer (3.23 Å) Yb–Ge bond lengths. In the second Yb site, Yb is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are two shorter (3.24 Å) and four longer (3.27 Å) Yb–Pd bond lengths. There are four shorter (3.02 Å) and two longer (3.06 Å) Yb–Ge bond lengths. In the third Yb site, Yb is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Yb–Pd bond distances ranging from 2.93–3.28 Å. There are a spread of Yb–Ge bond distances ranging from 3.08–3.21 Å. In the fourth Yb site, Yb is bonded in a 12-coordinate geometry to six Pd and six Ge atoms. There are a spread of Yb–Pd bond distances ranging from 3.03–3.18 Å. There are a spread of Yb–Ge bond distances ranging from 3.10–3.20 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to six Yb, one Pd, and three Ge atoms. The Pd–Pd bond length is 3.02 Å. There are one shorter (2.54 Å) and two longer (2.59 Å) Pd–Ge bond lengths. In the second Pd site, Pd is bonded in a 10-coordinate geometry to six Yb and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.56–2.70 Å. In the third Pd site, Pd is bonded in a 10-coordinate geometry to six Yb and four Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.57–2.75 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Yb, three Pd, and one Ge atom. The Ge–Ge bond length is 2.65 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Yb and four Pd atoms. In the third Ge site, Ge is bonded in a 10-coordinate geometry to six Yb and four Pd 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:
1274661
Report Number(s):
mp-568724
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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