Materials Data on K4HgP2 by Materials Project
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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1312688
- Report Number(s):
- mp-8753
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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