Materials Data on Yb3Ge13Pt4 by Materials Project

Dataset · Wed Apr 29 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1752173· OSTI ID:1752173

Yb3Pt4Ge13 crystallizes in the tetragonal P4_2cm space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to four equivalent Pt and twelve Ge atoms. All Yb–Pt bond lengths are 3.24 Å. There are a spread of Yb–Ge bond distances ranging from 3.25–3.30 Å. In the second Yb site, Yb is bonded in a 12-coordinate geometry to four equivalent Pt and twelve Ge atoms. All Yb–Pt bond lengths are 3.22 Å. There are a spread of Yb–Ge bond distances ranging from 3.01–3.45 Å. In the third Yb site, Yb is bonded in a 12-coordinate geometry to four Pt and twelve Ge atoms. There are a spread of Yb–Pt bond distances ranging from 3.16–3.26 Å. There are a spread of Yb–Ge bond distances ranging from 3.04–3.52 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three Yb and six Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.55–2.58 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to three Yb and six Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.50–2.61 Å. There are nine inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Yb, two Pt, and two Ge atoms. There are one shorter (2.62 Å) and one longer (2.67 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 2-coordinate geometry to three Yb, two equivalent Pt, and two equivalent Ge atoms. There are one shorter (2.81 Å) and one longer (2.87 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 2-coordinate geometry to three Yb, two equivalent Pt, and two Ge atoms. There are one shorter (2.69 Å) and one longer (2.80 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.53–2.82 Å. In the fifth Ge site, Ge is bonded in a 7-coordinate geometry to three equivalent Yb, two Pt, and two Ge atoms. The Ge–Ge bond length is 2.73 Å. In the sixth Ge site, Ge is bonded in a 7-coordinate geometry to three Yb, two equivalent Pt, and two Ge atoms. The Ge–Ge bond length is 2.68 Å. In the seventh Ge site, Ge is bonded in a 2-coordinate geometry to three Yb, two equivalent Pt, and two Ge atoms. In the eighth Ge site, Ge is bonded in a 2-coordinate geometry to three Yb, two equivalent Pt, and one Ge atom. In the ninth Ge site, Ge is bonded in a 2-coordinate geometry to three Yb, two equivalent Pt, and two Ge 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: 1752173
• Report Number(s): mp-1200714
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ge-Pt-Yb
Yb3Ge13Pt4
crystal structure