U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sc5(NiTe)2 by Materials Project
Abstract
Sc5(NiTe)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are five inequivalent Sc sites. In the first Sc site, Sc is bonded in a 6-coordinate geometry to three Ni and three equivalent Te atoms. There are two shorter (2.60 Å) and one longer (2.65 Å) Sc–Ni bond lengths. There are one shorter (2.99 Å) and two longer (3.08 Å) Sc–Te bond lengths. In the second Sc site, Sc is bonded in a 7-coordinate geometry to six Ni and one Te atom. There are a spread of Sc–Ni bond distances ranging from 2.63–2.86 Å. The Sc–Te bond length is 3.18 Å. In the third Sc site, Sc is bonded in a 5-coordinate geometry to one Ni and four Te atoms. The Sc–Ni bond length is 2.66 Å. There are two shorter (2.93 Å) and two longer (3.00 Å) Sc–Te bond lengths. In the fourth Sc site, Sc is bonded in a 5-coordinate geometry to one Ni and four Te atoms. The Sc–Ni bond length is 2.69 Å. There are a spread of Sc–Te bond distances ranging from 2.99–3.16 Å. In the fifth Sc site, Sc is bonded in a 6-coordinate geometry to three Ni and three Temore »
- Publication Date:
- Other Number(s):
- mp-29769
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Ni-Sc-Te; Sc5(NiTe)2; crystal structure
- OSTI Identifier:
- 1204230
- DOI:
- https://doi.org/10.17188/1204230
Citation Formats
Materials Data on Sc5(NiTe)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204230.
Materials Data on Sc5(NiTe)2 by Materials Project. United States. doi:https://doi.org/10.17188/1204230
2020.
"Materials Data on Sc5(NiTe)2 by Materials Project". United States. doi:https://doi.org/10.17188/1204230. https://www.osti.gov/servlets/purl/1204230. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1204230,
title = {Materials Data on Sc5(NiTe)2 by Materials Project},
abstractNote = {Sc5(NiTe)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are five inequivalent Sc sites. In the first Sc site, Sc is bonded in a 6-coordinate geometry to three Ni and three equivalent Te atoms. There are two shorter (2.60 Å) and one longer (2.65 Å) Sc–Ni bond lengths. There are one shorter (2.99 Å) and two longer (3.08 Å) Sc–Te bond lengths. In the second Sc site, Sc is bonded in a 7-coordinate geometry to six Ni and one Te atom. There are a spread of Sc–Ni bond distances ranging from 2.63–2.86 Å. The Sc–Te bond length is 3.18 Å. In the third Sc site, Sc is bonded in a 5-coordinate geometry to one Ni and four Te atoms. The Sc–Ni bond length is 2.66 Å. There are two shorter (2.93 Å) and two longer (3.00 Å) Sc–Te bond lengths. In the fourth Sc site, Sc is bonded in a 5-coordinate geometry to one Ni and four Te atoms. The Sc–Ni bond length is 2.69 Å. There are a spread of Sc–Te bond distances ranging from 2.99–3.16 Å. In the fifth Sc site, Sc is bonded in a 6-coordinate geometry to three Ni and three Te atoms. There are two shorter (2.62 Å) and one longer (2.85 Å) Sc–Ni bond lengths. There are one shorter (3.01 Å) and two longer (3.03 Å) Sc–Te bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 5-coordinate geometry to seven Sc and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.66 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to seven Sc and two equivalent Ni atoms. There are two inequivalent Te sites. In the first Te site, Te is bonded to seven Sc atoms to form distorted edge-sharing TeSc7 pentagonal bipyramids. In the second Te site, Te is bonded in a 8-coordinate geometry to eight Sc atoms.},
doi = {10.17188/1204230},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}