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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LaZnSn by Materials Project

LaZnSn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 12-coordinate geometry to six equivalent Zn and six equivalent Sn atoms. All La–Zn bond lengths are 3.13 Å. All La–Sn bond lengths are 3.52 Å. In the second La site, La is bonded to six equivalent Sn atoms to form distorted edge-sharing LaSn6 octahedra. All La–Sn bond lengths are 3.34 Å. Zn is bonded in a 6-coordinate geometry to three equivalent La and three equivalent Sn atoms. All Zn–Sn bond lengths are 2.75 Å. Sn is bonded in a 6-coordinate geometry to six La and three equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2Zn5Sn by Materials Project

La2Zn5Sn 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 11-coordinate geometry to thirteen Zn and two equivalent Sn atoms. There are a spread of La–Zn bond distances ranging from 3.19–3.34 Å. Both La–Sn bond lengths are 3.41 Å. In the second La site, La is bonded in a 6-coordinate geometry to ten Zn and four equivalent Sn atoms. There are a spread of La–Zn bond distances ranging from 3.27–3.67 Å. All La–Sn bond lengths are 3.37 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to four La and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.59–2.98 Å. In the second Zn site, Zn is bonded in a 1-coordinate geometry to five La, four Zn, and one Sn atom. The Zn–Zn bond length is 2.58 Å. The Zn–Sn bond length is 2.73 Å. In the third Zn site, Zn is bonded in a 1-coordinate geometry to five La, six Zn, and one Sn atom. The Zn–Sn bond length is 2.67 Å. Sn is bonded in a 9-coordinate geometry to six La and three Zn atoms.

36 MATERIALS SCIENCE↗