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5 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Li(CoGe)6 by Materials Project

Li(CoGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Li is bonded in a 8-coordinate geometry to twelve equivalent Co and eight Ge atoms. All Li–Co bond lengths are 3.17 Å. There are two shorter (2.54 Å) and six longer (2.92 Å) Li–Ge bond lengths. Co is bonded to two equivalent Li, four equivalent Co, and six Ge atoms to form a mixture of distorted face, edge, and corner-sharing CoLi2Co4Ge6 cuboctahedra. All Co–Co bond lengths are 2.53 Å. There are four shorter (2.41 Å) and two longer (2.60 Å) Co–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Li and six equivalent Co atoms. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Co atoms. In the third Ge site, Ge is bonded in a distorted single-bond geometry to one Li, six equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.58 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr(CoGe)6 by Materials Project

Zr(CoGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Zr is bonded to twelve equivalent Co and eight Ge atoms to form distorted face-sharing ZrCo12Ge8 hexagonal bipyramids. All Zr–Co bond lengths are 3.20 Å. There are two shorter (2.64 Å) and six longer (2.93 Å) Zr–Ge bond lengths. Co is bonded in a 12-coordinate geometry to two equivalent Zr, four equivalent Co, and six Ge atoms. All Co–Co bond lengths are 2.54 Å. There are four shorter (2.43 Å) and two longer (2.63 Å) Co–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Co atoms. In the second Ge site, Ge is bonded in a 8-coordinate geometry to one Zr, six equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.49 Å. In the third Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Zr and six equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg(CoGe)6 by Materials Project

Mg(CoGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Mg is bonded in a 8-coordinate geometry to twelve equivalent Co and eight Ge atoms. All Mg–Co bond lengths are 3.19 Å. There are two shorter (2.60 Å) and six longer (2.93 Å) Mg–Ge bond lengths. Co is bonded in a 12-coordinate geometry to two equivalent Mg, four equivalent Co, and six Ge atoms. All Co–Co bond lengths are 2.54 Å. There are four shorter (2.42 Å) and two longer (2.62 Å) Co–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Co atoms. In the second Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Mg and six equivalent Co atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Mg, six equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.51 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoGe(OF)6 by Materials Project

CoO6GeF6 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two cobalt;hexahydrate molecules and two GeF6 clusters. In each GeF6 cluster, Ge is bonded in an octahedral geometry to six F atoms. There are a spread of Ge–F bond distances ranging from 1.83–1.85 Å. There are three inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Ge atom. In the second F site, F is bonded in a single-bond geometry to one Ge atom. In the third F site, F is bonded in a single-bond geometry to one Ge atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoGe by Materials Project

CoGe is Modderite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Co sites. In the first Co site, Co is bonded in a 6-coordinate geometry to four Co and six Ge atoms. There are two shorter (2.46 Å) and two longer (2.58 Å) Co–Co bond lengths. There are four shorter (2.40 Å) and two longer (2.46 Å) Co–Ge bond lengths. In the second Co site, Co is bonded in a 6-coordinate geometry to four Co and six Ge atoms. Both Co–Co bond lengths are 2.59 Å. There are four shorter (2.38 Å) and two longer (2.44 Å) Co–Ge bond lengths. In the third Co site, Co is bonded in a 6-coordinate geometry to two Co and six Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.38–2.52 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to six Co atoms. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six Co atoms.

36 MATERIALS SCIENCE↗