U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CrInBr3 by Materials Project
Abstract
CrInBr3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two CrInBr3 sheets oriented in the (0, 1, 0) direction. Cr2+ is bonded to six Br1- atoms to form distorted edge-sharing CrBr6 octahedra. There are a spread of Cr–Br bond distances ranging from 2.51–3.28 Å. In1+ is bonded in a 5-coordinate geometry to five Br1- atoms. There are a spread of In–Br bond distances ranging from 3.16–3.52 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to one Cr2+ and two equivalent In1+ atoms. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to three equivalent Cr2+ atoms. In the third Br1- site, Br1- is bonded in a 1-coordinate geometry to two equivalent Cr2+ and three equivalent In1+ atoms.
- Publication Date:
- Other Number(s):
- mp-28532
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Br-Cr-In; CrInBr3; crystal structure
- OSTI Identifier:
- 1202619
- DOI:
- https://doi.org/10.17188/1202619
Citation Formats
Materials Data on CrInBr3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1202619.
Materials Data on CrInBr3 by Materials Project. United States. doi:https://doi.org/10.17188/1202619
2020.
"Materials Data on CrInBr3 by Materials Project". United States. doi:https://doi.org/10.17188/1202619. https://www.osti.gov/servlets/purl/1202619. Pub date:Mon Aug 03 04:00:00 UTC 2020
@article{osti_1202619,
title = {Materials Data on CrInBr3 by Materials Project},
abstractNote = {CrInBr3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two CrInBr3 sheets oriented in the (0, 1, 0) direction. Cr2+ is bonded to six Br1- atoms to form distorted edge-sharing CrBr6 octahedra. There are a spread of Cr–Br bond distances ranging from 2.51–3.28 Å. In1+ is bonded in a 5-coordinate geometry to five Br1- atoms. There are a spread of In–Br bond distances ranging from 3.16–3.52 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to one Cr2+ and two equivalent In1+ atoms. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to three equivalent Cr2+ atoms. In the third Br1- site, Br1- is bonded in a 1-coordinate geometry to two equivalent Cr2+ and three equivalent In1+ atoms.},
doi = {10.17188/1202619},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}