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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TbZn12 by Materials Project

TbZn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb is bonded in a 4-coordinate geometry to twenty Zn atoms. There are a spread of Tb–Zn bond distances ranging from 3.09–3.38 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded to two equivalent Tb and ten Zn atoms to form a mixture of corner, edge, and face-sharing ZnTb2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.59–2.72 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Tb and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.70–2.95 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to one Tb and nine Zn atoms. The Zn–Zn bond length is 2.58 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb3Zn11 by Materials Project

Tb3Zn11 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to twelve Zn atoms to form distorted TbZn12 cuboctahedra that share edges with two equivalent ZnTb4Zn8 cuboctahedra and faces with two equivalent TbZn12 cuboctahedra. There are four shorter (3.05 Å) and eight longer (3.28 Å) Tb–Zn bond lengths. In the second Tb site, Tb is bonded in a 12-coordinate geometry to sixteen Zn atoms. There are a spread of Tb–Zn bond distances ranging from 3.07–3.48 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Tb and eight Zn atoms to form distorted ZnTb4Zn8 cuboctahedra that share edges with two equivalent TbZn12 cuboctahedra and faces with two equivalent ZnTb4Zn8 cuboctahedra. There are four shorter (2.63 Å) and four longer (2.74 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Tb and eight Zn atoms. There are two shorter (2.60 Å) and four longer (2.87 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a 10-coordinate geometry to five Tb and five Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.48–2.73 Å. In the fourth Zn site, Zn is bonded in a 10-coordinate geometry to four Tb and six Zn atoms.

36 MATERIALS SCIENCE↗