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Title: 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 » Te2- is bonded in a 3-coordinate geometry to three Ir4+ atoms.« less

Publication Date:
Other Number(s):
mp-1103512
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
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}
}