Materials Data on Hg2PCl2 by Materials Project
Abstract
Hg2PCl2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 8-coordinate geometry to two equivalent P2- and six Cl1- atoms. Both Hg–P bond lengths are 2.48 Å. There are two shorter (3.26 Å) and four longer (3.51 Å) Hg–Cl bond lengths. In the second Hg2+ site, Hg2+ is bonded in a 6-coordinate geometry to one P2- and five Cl1- atoms. The Hg–P bond length is 2.45 Å. There are a spread of Hg–Cl bond distances ranging from 2.47–3.31 Å. P2- is bonded to three Hg2+ and one P2- atom to form corner-sharing PHg3P tetrahedra. The P–P bond length is 2.21 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to six Hg2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to five Hg2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-29679
- 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; Hg2PCl2; Cl-Hg-P
- OSTI Identifier:
- 1204158
- DOI:
- https://doi.org/10.17188/1204158
Citation Formats
The Materials Project. Materials Data on Hg2PCl2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204158.
The Materials Project. Materials Data on Hg2PCl2 by Materials Project. United States. doi:https://doi.org/10.17188/1204158
The Materials Project. 2020.
"Materials Data on Hg2PCl2 by Materials Project". United States. doi:https://doi.org/10.17188/1204158. https://www.osti.gov/servlets/purl/1204158. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1204158,
title = {Materials Data on Hg2PCl2 by Materials Project},
author = {The Materials Project},
abstractNote = {Hg2PCl2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 8-coordinate geometry to two equivalent P2- and six Cl1- atoms. Both Hg–P bond lengths are 2.48 Å. There are two shorter (3.26 Å) and four longer (3.51 Å) Hg–Cl bond lengths. In the second Hg2+ site, Hg2+ is bonded in a 6-coordinate geometry to one P2- and five Cl1- atoms. The Hg–P bond length is 2.45 Å. There are a spread of Hg–Cl bond distances ranging from 2.47–3.31 Å. P2- is bonded to three Hg2+ and one P2- atom to form corner-sharing PHg3P tetrahedra. The P–P bond length is 2.21 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to six Hg2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to five Hg2+ atoms.},
doi = {10.17188/1204158},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}