U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Te2Ir by Materials Project
Abstract
IrTe2 is Calaverite-like structured and crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one IrTe2 sheet oriented in the (0, 1, 1) direction. there are three inequivalent Ir4+ sites. In the first Ir4+ site, Ir4+ is bonded to six Te2- atoms to form edge-sharing IrTe6 octahedra. There are a spread of Ir–Te bond distances ranging from 2.64–2.72 Å. In the second Ir4+ site, Ir4+ is bonded to six Te2- atoms to form edge-sharing IrTe6 octahedra. There are a spread of Ir–Te bond distances ranging from 2.66–2.70 Å. In the third Ir4+ site, Ir4+ is bonded to six Te2- atoms to form edge-sharing IrTe6 octahedra. There are two shorter (2.67 Å) and four longer (2.68 Å) Ir–Te bond lengths. There are five inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Ir4+ atoms. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to three Ir4+ atoms. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to three Ir4+ atoms. In the fourth Te2- site, Te2- is bonded in a 3-coordinate geometry to three Ir4+ atoms. In the fifth Te2- site,more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1103512
- 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; Te2Ir; Ir-Te
- OSTI Identifier:
- 1662618
- DOI:
- https://doi.org/10.17188/1662618
Citation Formats
The Materials Project. Materials Data on Te2Ir by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1662618.
The Materials Project. Materials Data on Te2Ir by Materials Project. United States. doi:https://doi.org/10.17188/1662618
The Materials Project. 2020.
"Materials Data on Te2Ir by Materials Project". United States. doi:https://doi.org/10.17188/1662618. https://www.osti.gov/servlets/purl/1662618. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1662618,
title = {Materials Data on Te2Ir by Materials Project},
author = {The Materials Project},
abstractNote = {IrTe2 is Calaverite-like structured and crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one IrTe2 sheet oriented in the (0, 1, 1) direction. there are three inequivalent Ir4+ sites. In the first Ir4+ site, Ir4+ is bonded to six Te2- atoms to form edge-sharing IrTe6 octahedra. There are a spread of Ir–Te bond distances ranging from 2.64–2.72 Å. In the second Ir4+ site, Ir4+ is bonded to six Te2- atoms to form edge-sharing IrTe6 octahedra. There are a spread of Ir–Te bond distances ranging from 2.66–2.70 Å. In the third Ir4+ site, Ir4+ is bonded to six Te2- atoms to form edge-sharing IrTe6 octahedra. There are two shorter (2.67 Å) and four longer (2.68 Å) Ir–Te bond lengths. There are five inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Ir4+ atoms. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to three Ir4+ atoms. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to three Ir4+ atoms. In the fourth Te2- site, Te2- is bonded in a 3-coordinate geometry to three Ir4+ atoms. In the fifth Te2- site, Te2- is bonded in a 3-coordinate geometry to three Ir4+ atoms.},
doi = {10.17188/1662618},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}