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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on MnCoGe by Materials Project

MnCoGe crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn is bonded in a 12-coordinate geometry to two equivalent Mn, six equivalent Co, and six equivalent Ge atoms. Both Mn–Mn bond lengths are 2.57 Å. All Mn–Co bond lengths are 2.69 Å. All Mn–Ge bond lengths are 2.69 Å. Co is bonded in a 11-coordinate geometry to six equivalent Mn and five equivalent Ge atoms. There are three shorter (2.36 Å) and two longer (2.57 Å) Co–Ge bond lengths. Ge is bonded in a 11-coordinate geometry to six equivalent Mn and five equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn2CoGe by Materials Project

Mn2CoGe crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to four equivalent Mn and four equivalent Ge atoms to form distorted edge-sharing MnMn4Ge4 tetrahedra. All Mn–Mn bond lengths are 2.48 Å. All Mn–Ge bond lengths are 2.48 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to four equivalent Mn, four equivalent Co, and six equivalent Ge atoms. All Mn–Co bond lengths are 2.48 Å. All Mn–Ge bond lengths are 2.87 Å. Co is bonded in a distorted body-centered cubic geometry to four equivalent Mn and four equivalent Ge atoms. All Co–Ge bond lengths are 2.48 Å. Ge is bonded in a distorted body-centered cubic geometry to ten Mn and four equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn2Co3Ge by Materials Project

Mn2Co3Ge crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn is bonded in a 12-coordinate geometry to four equivalent Mn, nine equivalent Co, and three equivalent Ge atoms. There are one shorter (2.82 Å) and three longer (2.94 Å) Mn–Mn bond lengths. There are three shorter (2.74 Å) and six longer (2.78 Å) Mn–Co bond lengths. All Mn–Ge bond lengths are 2.81 Å. Co is bonded to six equivalent Mn, four equivalent Co, and two equivalent Ge atoms to form distorted CoMn6Co4Ge2 cuboctahedra that share corners with four equivalent GeMn6Co6 cuboctahedra, corners with fourteen equivalent CoMn6Co4Ge2 cuboctahedra, edges with six equivalent CoMn6Co4Ge2 cuboctahedra, faces with six equivalent GeMn6Co6 cuboctahedra, and faces with twelve equivalent CoMn6Co4Ge2 cuboctahedra. There are two shorter (2.30 Å) and two longer (2.50 Å) Co–Co bond lengths. Both Co–Ge bond lengths are 2.39 Å. Ge is bonded to six equivalent Mn and six equivalent Co atoms to form GeMn6Co6 cuboctahedra that share corners with twelve equivalent CoMn6Co4Ge2 cuboctahedra, edges with six equivalent GeMn6Co6 cuboctahedra, faces with two equivalent GeMn6Co6 cuboctahedra, and faces with eighteen equivalent CoMn6Co4Ge2 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3(Co2Ge3)2 by Materials Project

Mn3(Co2Ge3)2 crystallizes in the orthorhombic Cmm2 space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to eight Ge atoms to form distorted edge-sharing MnGe8 hexagonal bipyramids. There are a spread of Mn–Ge bond distances ranging from 2.60–2.93 Å. In the second Mn site, Mn is bonded in a 10-coordinate geometry to two equivalent Co and six Ge atoms. Both Mn–Co bond lengths are 2.53 Å. There are a spread of Mn–Ge bond distances ranging from 2.49–2.61 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to four equivalent Mn and six Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.48–2.63 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to six Ge atoms. There are four shorter (2.41 Å) and two longer (2.61 Å) Co–Ge bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to six Ge atoms. There are four shorter (2.39 Å) and two longer (2.62 Å) Co–Ge bond lengths. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 12-coordinate geometry to five Mn and four Co atoms. In the second Ge site, Ge is bonded in a 8-coordinate geometry to five Mn, two equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.64 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Mn, six Co, and one Ge atom. In the fourth Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Mn and four Co atoms.

36 MATERIALS SCIENCE↗