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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Yb2(ZnGe)3 by Materials Project

Yb2(ZnGe)3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 10-coordinate geometry to six Zn and eight Ge atoms. There are a spread of Yb–Zn bond distances ranging from 3.08–3.26 Å. There are a spread of Yb–Ge bond distances ranging from 3.04–3.57 Å. In the second Yb site, Yb is bonded in a 6-coordinate geometry to five Zn and six Ge atoms. There are a spread of Yb–Zn bond distances ranging from 3.28–3.49 Å. There are a spread of Yb–Ge bond distances ranging from 3.02–3.14 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 4-coordinate geometry to five Yb, one Zn, and four Ge atoms. The Zn–Zn bond length is 2.67 Å. There are a spread of Zn–Ge bond distances ranging from 2.51–2.69 Å. In the second Zn site, Zn is bonded in a 4-coordinate geometry to five Yb and four Ge atoms. There are a spread of Zn–Ge bond distances ranging from 2.49–2.78 Å. In the third Zn site, Zn is bonded in a 4-coordinate geometry to one Yb, one Zn, and four Ge atoms. There are a spread of Zn–Ge bond distances ranging from 2.53–2.74 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Yb, two Zn, and one Ge atom. The Ge–Ge bond length is 2.48 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four Yb and six Zn atoms. In the third Ge site, Ge is bonded in a 7-coordinate geometry to four Yb and four Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb(ZnGe)2 by Materials Project

Yb(ZnGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb is bonded in a 8-coordinate geometry to eight equivalent Zn and eight equivalent Ge atoms. All Yb–Zn bond lengths are 3.45 Å. All Yb–Ge bond lengths are 3.23 Å. Zn is bonded to four equivalent Yb and four equivalent Ge atoms to form a mixture of edge, face, and corner-sharing ZnYb4Ge4 tetrahedra. All Zn–Ge bond lengths are 2.58 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Yb, four equivalent Zn, and one Ge atom. The Ge–Ge bond length is 2.49 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb2ZnGe by Materials Project

Yb2ZnGe is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to four equivalent Zn and four equivalent Ge atoms. All Yb–Zn bond lengths are 3.11 Å. All Yb–Ge bond lengths are 3.11 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. Ge is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbZnGe by Materials Project

YbZnGe crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to six equivalent Zn and six equivalent Ge atoms. There are a spread of Yb–Zn bond distances ranging from 3.08–3.24 Å. There are a spread of Yb–Ge bond distances ranging from 3.05–3.25 Å. Zn is bonded in a 10-coordinate geometry to six equivalent Yb, one Zn, and three equivalent Ge atoms. The Zn–Zn bond length is 2.57 Å. There are two shorter (2.59 Å) and one longer (2.91 Å) Zn–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to six equivalent Yb, three equivalent Zn, and one Ge atom. The Ge–Ge bond length is 2.59 Å.

36 MATERIALS SCIENCE↗