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DOE OSTI2020

Materials Data on TbCd3 by Materials Project

TbCd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded to twelve Cd atoms to form a mixture of corner and face-sharing TbCd12 cuboctahedra. There are six shorter (3.18 Å) and six longer (3.33 Å) Tb–Cd bond lengths. There are three inequivalent Cd sites. In the first Cd site, Cd is bonded in a 12-coordinate geometry to four equivalent Tb and eight Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.12–3.42 Å. In the second Cd site, Cd is bonded in a 12-coordinate geometry to four equivalent Tb and eight equivalent Cd atoms. In the third Cd site, Cd is bonded in a 12-coordinate geometry to four equivalent Tb and eight equivalent Cd atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on TbCd3 by Materials Project

TbCd3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to twelve Cd atoms. There are a spread of Tb–Cd bond distances ranging from 3.21–3.61 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded in a 11-coordinate geometry to four equivalent Tb and seven Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.03–3.35 Å. In the second Cd site, Cd is bonded in a 2-coordinate geometry to four equivalent Tb and eight equivalent Cd atoms.

36 MATERIALS SCIENCE↗