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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on La2(Zn2Ge)3 by Materials Project

La2(Zn2Ge)3 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to nine Zn and six equivalent Ge atoms. There are three shorter (3.29 Å) and six longer (3.46 Å) La–Zn bond lengths. All La–Ge bond lengths are 3.19 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 3-coordinate geometry to four equivalent La and three equivalent Ge atoms. There are one shorter (2.57 Å) and two longer (2.66 Å) Zn–Ge bond lengths. In the second Zn site, Zn is bonded in a 2-coordinate geometry to two equivalent La and two equivalent Ge atoms. Both Zn–Ge bond lengths are 2.55 Å. Ge is bonded in a 9-coordinate geometry to four equivalent La and five Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2(ZnGe2)3 by Materials Project

La2(ZnGe2)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 8-coordinate geometry to six Zn and eight Ge atoms. There are two shorter (3.32 Å) and four longer (3.37 Å) La–Zn bond lengths. There are a spread of La–Ge bond distances ranging from 3.17–3.24 Å. In the second La site, La is bonded in a 8-coordinate geometry to six Zn and eight Ge atoms. There are two shorter (3.32 Å) and four longer (3.43 Å) La–Zn bond lengths. There are two shorter (3.17 Å) and six longer (3.23 Å) La–Ge bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four La and four Ge atoms to form a mixture of distorted edge and face-sharing ZnLa4Ge4 tetrahedra. There are two shorter (2.63 Å) and two longer (2.67 Å) Zn–Ge bond lengths. In the second Zn site, Zn is bonded in a 5-coordinate geometry to four La and five Ge atoms. There are one shorter (2.57 Å) and four longer (2.64 Å) Zn–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to two La, one Zn, and three equivalent Ge atoms. There are one shorter (2.51 Å) and two longer (2.59 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four La and four equivalent Zn atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four La and five Zn atoms.

36 MATERIALS SCIENCE↗