U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K4HgP2 by Materials Project
Abstract
K4HgP2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing KP4 tetrahedra. There are one shorter (3.25 Å) and three longer (3.45 Å) K–P bond lengths. In the second K1+ site, K1+ is bonded in a trigonal non-coplanar geometry to three equivalent P3- atoms. All K–P bond lengths are 3.40 Å. Hg2+ is bonded in a linear geometry to two equivalent P3- atoms. Both Hg–P bond lengths are 2.42 Å. P3- is bonded in a body-centered cubic geometry to seven K1+ and one Hg2+ atom.
- Publication Date:
- Other Number(s):
- mp-8753
- 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; Hg-K-P; K4HgP2; crystal structure
- OSTI Identifier:
- 1312688
- DOI:
- https://doi.org/10.17188/1312688
Citation Formats
Materials Data on K4HgP2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1312688.
Materials Data on K4HgP2 by Materials Project. United States. doi:https://doi.org/10.17188/1312688
2020.
"Materials Data on K4HgP2 by Materials Project". United States. doi:https://doi.org/10.17188/1312688. https://www.osti.gov/servlets/purl/1312688. Pub date:Fri Jul 17 04:00:00 UTC 2020
@article{osti_1312688,
title = {Materials Data on K4HgP2 by Materials Project},
abstractNote = {K4HgP2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing KP4 tetrahedra. There are one shorter (3.25 Å) and three longer (3.45 Å) K–P bond lengths. In the second K1+ site, K1+ is bonded in a trigonal non-coplanar geometry to three equivalent P3- atoms. All K–P bond lengths are 3.40 Å. Hg2+ is bonded in a linear geometry to two equivalent P3- atoms. Both Hg–P bond lengths are 2.42 Å. P3- is bonded in a body-centered cubic geometry to seven K1+ and one Hg2+ atom.},
doi = {10.17188/1312688},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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