Materials Data on Hg2PO3F by Materials Project
Abstract
Hg2PO3F crystallizes in the orthorhombic Ibam space group. The structure is two-dimensional and consists of two Hg2PO3F sheets oriented in the (0, 0, 1) direction. Hg1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.38–2.55 Å. P5+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There is one shorter (1.52 Å) and two longer (1.54 Å) P–O bond length. The P–F bond length is 1.60 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Hg1+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Hg1+ and one P5+ atom. F1- is bonded in a single-bond geometry to one P5+ atom.
- Authors:
- Publication Date:
- 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)
- Contributing Org.:
- MIT; UC Berkeley; Duke; U Louvain
- OSTI Identifier:
- 1272090
- Report Number(s):
- mp-561472
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Resource Type:
- Data
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; Hg2PO3F; F-Hg-O-P
Citation Formats
The Materials Project. Materials Data on Hg2PO3F by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1272090.
The Materials Project. Materials Data on Hg2PO3F by Materials Project. United States. https://doi.org/10.17188/1272090
The Materials Project. 2020.
"Materials Data on Hg2PO3F by Materials Project". United States. https://doi.org/10.17188/1272090. https://www.osti.gov/servlets/purl/1272090.
@article{osti_1272090,
title = {Materials Data on Hg2PO3F by Materials Project},
author = {The Materials Project},
abstractNote = {Hg2PO3F crystallizes in the orthorhombic Ibam space group. The structure is two-dimensional and consists of two Hg2PO3F sheets oriented in the (0, 0, 1) direction. Hg1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.38–2.55 Å. P5+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There is one shorter (1.52 Å) and two longer (1.54 Å) P–O bond length. The P–F bond length is 1.60 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Hg1+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Hg1+ and one P5+ atom. F1- is bonded in a single-bond geometry to one P5+ atom.},
doi = {10.17188/1272090},
url = {https://www.osti.gov/biblio/1272090},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}