Materials Data on TaI2O by Materials Project

Dataset · Thu Jul 16 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1203072· OSTI ID:1203072

The Materials Project

TaOI2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two TaOI2 sheets oriented in the (1, 0, 0) direction. Ta4+ is bonded in a distorted linear geometry to two equivalent O2- and four I1- atoms. Both Ta–O bond lengths are 1.95 Å. There are two shorter (2.79 Å) and two longer (2.91 Å) Ta–I bond lengths. O2- is bonded in a linear geometry to two equivalent Ta4+ atoms. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted water-like geometry to two equivalent Ta4+ atoms. In the second I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Ta4+ atoms.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1203072
• Report Number(s): mp-29027
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
TaI2O
I-O-Ta