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4 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TiCoGe by Materials Project

TiCoGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ti is bonded in a 5-coordinate geometry to six equivalent Co and five Ge atoms. There are two shorter (2.76 Å) and four longer (2.98 Å) Ti–Co bond lengths. There are four shorter (2.62 Å) and one longer (2.67 Å) Ti–Ge bond lengths. Co is bonded to six equivalent Ti, two equivalent Co, and four Ge atoms to form a mixture of distorted edge, face, and corner-sharing CoTi6Co2Ge4 cuboctahedra. Both Co–Co bond lengths are 2.60 Å. There are two shorter (2.39 Å) and two longer (2.40 Å) Co–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted q6 geometry to three equivalent Ti and six equivalent Co atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Ti and three equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiCo2Ge by Materials Project

Co2TiGe is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a distorted body-centered cubic geometry to eight equivalent Co and six equivalent Ge atoms. All Ti–Co bond lengths are 2.53 Å. All Ti–Ge bond lengths are 2.92 Å. Co is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Ge atoms. All Co–Ge bond lengths are 2.53 Å. Ge is bonded in a distorted body-centered cubic geometry to six equivalent Ti and eight equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti2CoGe by Materials Project

Ti2CoGe crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded to four equivalent Ti and four equivalent Ge atoms to form distorted edge-sharing TiTi4Ge4 tetrahedra. All Ti–Ti bond lengths are 2.65 Å. All Ti–Ge bond lengths are 2.65 Å. In the second Ti site, Ti is bonded in a 4-coordinate geometry to four equivalent Ti, four equivalent Co, and six equivalent Ge atoms. All Ti–Co bond lengths are 2.65 Å. All Ti–Ge bond lengths are 3.05 Å. Co is bonded in a distorted body-centered cubic geometry to four equivalent Ti and four equivalent Ge atoms. All Co–Ge bond lengths are 2.65 Å. Ge is bonded in a distorted body-centered cubic geometry to ten Ti and four equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti6Co16Ge7 by Materials Project

Ti6Co16Ge7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to eight Co and four equivalent Ge atoms. There are four shorter (2.68 Å) and four longer (2.81 Å) Ti–Co bond lengths. All Ti–Ge bond lengths are 2.89 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 4-coordinate geometry to three equivalent Ti, six Co, and four Ge atoms. There are three shorter (2.53 Å) and three longer (2.71 Å) Co–Co bond lengths. There are one shorter (2.35 Å) and three longer (2.48 Å) Co–Ge bond lengths. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Ti, three equivalent Co, and three equivalent Ge atoms. All Co–Ge bond lengths are 2.31 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four equivalent Ti and eight Co atoms to form a mixture of distorted corner and face-sharing GeTi4Co8 cuboctahedra. In the second Ge site, Ge is bonded in a body-centered cubic geometry to eight equivalent Co atoms.

36 MATERIALS SCIENCE↗