Materials Data on TbIn2Ni9 by Materials Project
TbNi9In2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to sixteen Ni and four equivalent In atoms. There are eight shorter (2.98 Å) and eight longer (3.25 Å) Tb–Ni bond lengths. All Tb–In bond lengths are 3.24 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to eight Ni and four equivalent In atoms to form NiIn4Ni8 cuboctahedra that share corners with sixteen NiTb2In2Ni8 cuboctahedra, edges with two equivalent NiIn4Ni8 cuboctahedra, and faces with twenty NiTb2In3Ni7 cuboctahedra. There are four shorter (2.38 Å) and four longer (2.47 Å) Ni–Ni bond lengths. All Ni–In bond lengths are 2.80 Å. In the second Ni site, Ni is bonded to two equivalent Tb, eight Ni, and two equivalent In atoms to form distorted NiTb2In2Ni8 cuboctahedra that share corners with twenty NiIn4Ni8 cuboctahedra, edges with six NiTb2In3Ni7 cuboctahedra, and faces with nineteen NiIn4Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.46–2.67 Å. Both Ni–In bond lengths are 2.81 Å. In the third Ni site, Ni is bonded to two equivalent Tb, seven Ni, and three equivalent In atoms to form NiTb2In3Ni7 cuboctahedra that share corners with eighteen NiIn4Ni8 cuboctahedra, edges with nine NiTb2In2Ni8 cuboctahedra, and faces with twenty NiIn4Ni8 cuboctahedra. There are one shorter (2.38 Å) and one longer (2.42 Å) Ni–Ni bond lengths. There are one shorter (2.59 Å) and two longer (2.78 Å) Ni–In bond lengths. In is bonded in a 12-coordinate geometry to two equivalent Tb, twelve Ni, and one In atom. The In–In bond length is 2.90 Å.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1731905
- Report Number(s):
- mp-1191278
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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