Materials Data on Yb7Mg3Ge8 by Materials Project

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

DOI:https://doi.org/10.17188/1284220· OSTI ID:1284220

Mg3Yb7Ge8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted bent 150 degrees geometry to four Ge atoms. There are a spread of Mg–Ge bond distances ranging from 2.75–3.40 Å. In the second Mg site, Mg is bonded in a 5-coordinate geometry to one Yb and five Ge atoms. The Mg–Yb bond length is 3.26 Å. There are a spread of Mg–Ge bond distances ranging from 2.71–3.20 Å. In the third Mg site, Mg is bonded in a distorted tetrahedral geometry to one Yb and five Ge atoms. The Mg–Yb bond length is 3.35 Å. There are a spread of Mg–Ge bond distances ranging from 2.68–3.31 Å. There are seven inequivalent Yb sites. In the first Yb site, Yb is bonded in a 5-coordinate geometry to six Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.93–3.65 Å. In the second Yb site, Yb is bonded in a 8-coordinate geometry to two Mg and six Ge atoms. There are a spread of Yb–Ge bond distances ranging from 3.03–3.47 Å. In the third Yb site, Yb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.93–3.49 Å. In the fourth Yb site, Yb is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.89–3.21 Å. In the fifth Yb site, Yb is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.90–3.29 Å. In the sixth Yb site, Yb is bonded in a 5-coordinate geometry to six Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.89–3.50 Å. In the seventh Yb site, Yb is bonded in a 5-coordinate geometry to six Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.89–3.40 Å. There are eight inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted pentagonal bipyramidal geometry to two Mg and five Yb atoms. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two Mg and five Yb atoms. In the third Ge site, Ge is bonded in a 1-coordinate geometry to six Yb and two Ge atoms. There are one shorter (2.57 Å) and one longer (2.77 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 5-coordinate geometry to two Mg, four Yb, and two Ge atoms. There are one shorter (2.50 Å) and one longer (2.86 Å) Ge–Ge bond lengths. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to two Mg, five Yb, and two Ge atoms. There are one shorter (2.63 Å) and one longer (3.03 Å) Ge–Ge bond lengths. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to two Mg, five Yb, and one Ge atom. In the seventh Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Mg, five Yb, and two Ge atoms. In the eighth Ge site, Ge is bonded in a 8-coordinate geometry to two equivalent Mg, five Yb, and one Ge atom.

• 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: 1284220
• Report Number(s): mp-685798
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ge-Mg-Yb
Yb7Mg3Ge8
crystal structure