Materials Data on ZrI2 by Materials Project
Abstract
ZrI2 is Molybdenite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is two-dimensional and consists of two ZrI2 sheets oriented in the (0, 0, 1) direction. Zr2+ is bonded to six I1- atoms to form distorted edge-sharing ZrI6 octahedra. There are a spread of Zr–I bond distances ranging from 2.93–3.15 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 3-coordinate geometry to three equivalent Zr2+ atoms. In the second I1- site, I1- is bonded in a 3-coordinate geometry to three equivalent Zr2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-570506
- 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; ZrI2; I-Zr
- OSTI Identifier:
- 1275748
- DOI:
- https://doi.org/10.17188/1275748
Citation Formats
The Materials Project. Materials Data on ZrI2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1275748.
The Materials Project. Materials Data on ZrI2 by Materials Project. United States. doi:https://doi.org/10.17188/1275748
The Materials Project. 2020.
"Materials Data on ZrI2 by Materials Project". United States. doi:https://doi.org/10.17188/1275748. https://www.osti.gov/servlets/purl/1275748. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1275748,
title = {Materials Data on ZrI2 by Materials Project},
author = {The Materials Project},
abstractNote = {ZrI2 is Molybdenite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is two-dimensional and consists of two ZrI2 sheets oriented in the (0, 0, 1) direction. Zr2+ is bonded to six I1- atoms to form distorted edge-sharing ZrI6 octahedra. There are a spread of Zr–I bond distances ranging from 2.93–3.15 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 3-coordinate geometry to three equivalent Zr2+ atoms. In the second I1- site, I1- is bonded in a 3-coordinate geometry to three equivalent Zr2+ atoms.},
doi = {10.17188/1275748},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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