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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Tb2Si3 by Materials Project

Tb2Si3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 4-coordinate geometry to four equivalent Si atoms. There are two shorter (2.88 Å) and two longer (3.04 Å) Tb–Si bond lengths. In the second Tb site, Tb is bonded in a 11-coordinate geometry to eleven Si atoms. There are a spread of Tb–Si bond distances ranging from 3.17–3.26 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to three equivalent Tb and four Si atoms. There are two shorter (2.37 Å) and two longer (2.40 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to eight Tb and one Si atom. The Si–Si bond length is 2.30 Å. In the third Si site, Si is bonded in a 7-coordinate geometry to four equivalent Tb and three Si atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb2Si3 by Materials Project

Tb2Si3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 10-coordinate geometry to ten Si atoms. There are a spread of Tb–Si bond distances ranging from 2.98–3.13 Å. In the second Tb site, Tb is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Tb–Si bond distances ranging from 2.93–3.11 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six Tb and three Si atoms. There are one shorter (2.33 Å) and two longer (2.39 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 8-coordinate geometry to six Tb and two equivalent Si atoms. In the third Si site, Si is bonded in a 7-coordinate geometry to six Tb and one Si atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb2Si3 by Materials Project

Tb2Si3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Tb is bonded in a 9-coordinate geometry to nine Si atoms. There are three shorter (3.02 Å) and six longer (3.07 Å) Tb–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Si atoms. All Si–Si bond lengths are 2.30 Å. In the second Si site, Si is bonded to six equivalent Tb atoms to form distorted edge-sharing SiTb6 pentagonal pyramids. In the third Si site, Si is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Si atoms.

36 MATERIALS SCIENCE↗