Materials Data on HgIBr by Materials Project
Abstract
HgBrI crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of two HgBrI sheets oriented in the (0, 0, 1) direction. Hg2+ is bonded to three equivalent I1- and three equivalent Br1- atoms to form distorted edge-sharing HgI3Br3 octahedra. There are one shorter (2.64 Å) and two longer (3.58 Å) Hg–I bond lengths. There are one shorter (2.49 Å) and two longer (3.63 Å) Hg–Br bond lengths. I1- is bonded in a 1-coordinate geometry to three equivalent Hg2+ atoms. Br1- is bonded in a distorted single-bond geometry to three equivalent Hg2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-570172
- 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; HgIBr; Br-Hg-I
- OSTI Identifier:
- 1275560
- DOI:
- https://doi.org/10.17188/1275560
Citation Formats
The Materials Project. Materials Data on HgIBr by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1275560.
The Materials Project. Materials Data on HgIBr by Materials Project. United States. doi:https://doi.org/10.17188/1275560
The Materials Project. 2020.
"Materials Data on HgIBr by Materials Project". United States. doi:https://doi.org/10.17188/1275560. https://www.osti.gov/servlets/purl/1275560. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1275560,
title = {Materials Data on HgIBr by Materials Project},
author = {The Materials Project},
abstractNote = {HgBrI crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of two HgBrI sheets oriented in the (0, 0, 1) direction. Hg2+ is bonded to three equivalent I1- and three equivalent Br1- atoms to form distorted edge-sharing HgI3Br3 octahedra. There are one shorter (2.64 Å) and two longer (3.58 Å) Hg–I bond lengths. There are one shorter (2.49 Å) and two longer (3.63 Å) Hg–Br bond lengths. I1- is bonded in a 1-coordinate geometry to three equivalent Hg2+ atoms. Br1- is bonded in a distorted single-bond geometry to three equivalent Hg2+ atoms.},
doi = {10.17188/1275560},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}
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