Materials Data on Co2Ni2Te5 by Materials Project
Abstract
Co2Ni2Te5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded to six Te2- atoms to form CoTe6 octahedra that share corners with nine NiTe6 octahedra, edges with four CoTe6 octahedra, and faces with two NiTe6 octahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are a spread of Co–Te bond distances ranging from 2.57–2.63 Å. In the second Co3+ site, Co3+ is bonded to six Te2- atoms to form CoTe6 octahedra that share corners with ten NiTe6 octahedra, edges with five CoTe6 octahedra, and a faceface with one NiTe6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of Co–Te bond distances ranging from 2.54–2.64 Å. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded to six Te2- atoms to form NiTe6 octahedra that share corners with ten CoTe6 octahedra, edges with five NiTe6 octahedra, and a faceface with one CoTe6 octahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are a spread of Ni–Te bond distances ranging from 2.58–2.72 Å. In the second Ni2+ site, Ni2+ is bonded to six Te2- atomsmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1226586
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Co2Ni2Te5; Co-Ni-Te
- OSTI Identifier:
- 1753195
- DOI:
- https://doi.org/10.17188/1753195
Citation Formats
The Materials Project. Materials Data on Co2Ni2Te5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1753195.
The Materials Project. Materials Data on Co2Ni2Te5 by Materials Project. United States. doi:https://doi.org/10.17188/1753195
The Materials Project. 2020.
"Materials Data on Co2Ni2Te5 by Materials Project". United States. doi:https://doi.org/10.17188/1753195. https://www.osti.gov/servlets/purl/1753195. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1753195,
title = {Materials Data on Co2Ni2Te5 by Materials Project},
author = {The Materials Project},
abstractNote = {Co2Ni2Te5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded to six Te2- atoms to form CoTe6 octahedra that share corners with nine NiTe6 octahedra, edges with four CoTe6 octahedra, and faces with two NiTe6 octahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are a spread of Co–Te bond distances ranging from 2.57–2.63 Å. In the second Co3+ site, Co3+ is bonded to six Te2- atoms to form CoTe6 octahedra that share corners with ten NiTe6 octahedra, edges with five CoTe6 octahedra, and a faceface with one NiTe6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of Co–Te bond distances ranging from 2.54–2.64 Å. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded to six Te2- atoms to form NiTe6 octahedra that share corners with ten CoTe6 octahedra, edges with five NiTe6 octahedra, and a faceface with one CoTe6 octahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are a spread of Ni–Te bond distances ranging from 2.58–2.72 Å. In the second Ni2+ site, Ni2+ is bonded to six Te2- atoms to form NiTe6 octahedra that share corners with nine CoTe6 octahedra, edges with four NiTe6 octahedra, and faces with two CoTe6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of Ni–Te bond distances ranging from 2.61–2.68 Å. There are five inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to three Co3+ and two equivalent Ni2+ atoms. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to three Co3+ and two Ni2+ atoms. In the third Te2- site, Te2- is bonded in a 5-coordinate geometry to two Co3+ and three Ni2+ atoms. In the fourth Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent Co3+ and three Ni2+ atoms. In the fifth Te2- site, Te2- is bonded in a 4-coordinate geometry to two Co3+ and two Ni2+ atoms.},
doi = {10.17188/1753195},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}