U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sm2TiCo16 by Materials Project
Abstract
Sm2TiCo16 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 10-coordinate geometry to nineteen Co atoms. There are a spread of Sm–Co bond distances ranging from 2.98–3.23 Å. In the second Sm site, Sm is bonded in a 9-coordinate geometry to one Ti and eighteen Co atoms. The Sm–Ti bond length is 3.16 Å. There are a spread of Sm–Co bond distances ranging from 2.96–3.32 Å. Ti is bonded in a 1-coordinate geometry to one Sm and thirteen Co atoms. There are a spread of Ti–Co bond distances ranging from 2.32–2.68 Å. There are five inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to two Sm, one Ti, and nine Co atoms. There are a spread of Co–Co bond distances ranging from 2.37–2.71 Å. In the second Co site, Co is bonded to two Sm, one Ti, and nine Co atoms to form distorted CoSm2TiCo9 cuboctahedra that share corners with fourteen CoSm3TiCo8 cuboctahedra, edges with six CoSm3TiCo8 cuboctahedra, and faces with ten CoSm2TiCo9 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.40–2.53more »
- Publication Date:
- Other Number(s):
- mp-1219207
- 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; Co-Sm-Ti; Sm2TiCo16; crystal structure
- OSTI Identifier:
- 1699873
- DOI:
- https://doi.org/10.17188/1699873
Citation Formats
Materials Data on Sm2TiCo16 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1699873.
Materials Data on Sm2TiCo16 by Materials Project. United States. doi:https://doi.org/10.17188/1699873
2019.
"Materials Data on Sm2TiCo16 by Materials Project". United States. doi:https://doi.org/10.17188/1699873. https://www.osti.gov/servlets/purl/1699873. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1699873,
title = {Materials Data on Sm2TiCo16 by Materials Project},
abstractNote = {Sm2TiCo16 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 10-coordinate geometry to nineteen Co atoms. There are a spread of Sm–Co bond distances ranging from 2.98–3.23 Å. In the second Sm site, Sm is bonded in a 9-coordinate geometry to one Ti and eighteen Co atoms. The Sm–Ti bond length is 3.16 Å. There are a spread of Sm–Co bond distances ranging from 2.96–3.32 Å. Ti is bonded in a 1-coordinate geometry to one Sm and thirteen Co atoms. There are a spread of Ti–Co bond distances ranging from 2.32–2.68 Å. There are five inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to two Sm, one Ti, and nine Co atoms. There are a spread of Co–Co bond distances ranging from 2.37–2.71 Å. In the second Co site, Co is bonded to two Sm, one Ti, and nine Co atoms to form distorted CoSm2TiCo9 cuboctahedra that share corners with fourteen CoSm3TiCo8 cuboctahedra, edges with six CoSm3TiCo8 cuboctahedra, and faces with ten CoSm2TiCo9 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.40–2.53 Å. In the third Co site, Co is bonded to three Sm, one Ti, and eight Co atoms to form CoSm3TiCo8 cuboctahedra that share corners with fifteen CoSm2TiCo9 cuboctahedra, edges with eight CoSm3TiCo8 cuboctahedra, and faces with ten CoSm2TiCo9 cuboctahedra. Both Co–Co bond lengths are 2.47 Å. In the fourth Co site, Co is bonded to three Sm and nine Co atoms to form CoSm3Co9 cuboctahedra that share corners with fifteen CoSm2TiCo9 cuboctahedra, edges with eight CoSm3TiCo8 cuboctahedra, and faces with ten CoSm2TiCo9 cuboctahedra. The Co–Co bond length is 2.59 Å. In the fifth Co site, Co is bonded in a distorted single-bond geometry to one Sm, one Ti, and twelve Co atoms.},
doi = {10.17188/1699873},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}