U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KHgC2IN2 by Materials Project
Abstract
KHgC2N2I crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to six equivalent N3- and two equivalent I1- atoms. There are four shorter (3.02 Å) and two longer (3.40 Å) K–N bond lengths. Both K–I bond lengths are 3.77 Å. Hg2+ is bonded in a distorted linear geometry to two equivalent C2+ and four equivalent I1- atoms. Both Hg–C bond lengths are 2.06 Å. All Hg–I bond lengths are 3.45 Å. C2+ is bonded in a linear geometry to one Hg2+ and one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a distorted single-bond geometry to three equivalent K1+ and one C2+ atom. I1- is bonded to two equivalent K1+ and four equivalent Hg2+ atoms to form a mixture of distorted corner, edge, and face-sharing IK2Hg4 pentagonal pyramids.
- Publication Date:
- Other Number(s):
- mp-568604
- 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; C-Hg-I-K-N; KHgC2IN2; crystal structure
- OSTI Identifier:
- 1274541
- DOI:
- https://doi.org/10.17188/1274541
Citation Formats
Materials Data on KHgC2IN2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1274541.
Materials Data on KHgC2IN2 by Materials Project. United States. doi:https://doi.org/10.17188/1274541
2020.
"Materials Data on KHgC2IN2 by Materials Project". United States. doi:https://doi.org/10.17188/1274541. https://www.osti.gov/servlets/purl/1274541. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1274541,
title = {Materials Data on KHgC2IN2 by Materials Project},
abstractNote = {KHgC2N2I crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to six equivalent N3- and two equivalent I1- atoms. There are four shorter (3.02 Å) and two longer (3.40 Å) K–N bond lengths. Both K–I bond lengths are 3.77 Å. Hg2+ is bonded in a distorted linear geometry to two equivalent C2+ and four equivalent I1- atoms. Both Hg–C bond lengths are 2.06 Å. All Hg–I bond lengths are 3.45 Å. C2+ is bonded in a linear geometry to one Hg2+ and one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a distorted single-bond geometry to three equivalent K1+ and one C2+ atom. I1- is bonded to two equivalent K1+ and four equivalent Hg2+ atoms to form a mixture of distorted corner, edge, and face-sharing IK2Hg4 pentagonal pyramids.},
doi = {10.17188/1274541},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}