U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Hg4PNO8 by Materials Project
Abstract
Hg4PNO8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Hg–O bond distances ranging from 2.18–2.86 Å. In the second Hg2+ site, Hg2+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.20–2.87 Å. In the third Hg2+ site, Hg2+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.17 Å) and one longer (2.40 Å) Hg–O bond lengths. In the fourth Hg2+ site, Hg2+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Hg–O bond distances ranging from 2.19–2.83 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.56 Å) and two longer (1.57 Å) P–O bond length. N3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.26 Å) and two longer (1.27 Å) N–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinatemore »
- Publication Date:
- Other Number(s):
- mp-1198983
- 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-N-O-P; Hg4PNO8; crystal structure
- OSTI Identifier:
- 1677309
- DOI:
- https://doi.org/10.17188/1677309
Citation Formats
Materials Data on Hg4PNO8 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1677309.
Materials Data on Hg4PNO8 by Materials Project. United States. doi:https://doi.org/10.17188/1677309
2019.
"Materials Data on Hg4PNO8 by Materials Project". United States. doi:https://doi.org/10.17188/1677309. https://www.osti.gov/servlets/purl/1677309. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1677309,
title = {Materials Data on Hg4PNO8 by Materials Project},
abstractNote = {Hg4PNO8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Hg–O bond distances ranging from 2.18–2.86 Å. In the second Hg2+ site, Hg2+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.20–2.87 Å. In the third Hg2+ site, Hg2+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.17 Å) and one longer (2.40 Å) Hg–O bond lengths. In the fourth Hg2+ site, Hg2+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Hg–O bond distances ranging from 2.19–2.83 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.56 Å) and two longer (1.57 Å) P–O bond length. N3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.26 Å) and two longer (1.27 Å) N–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Hg2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two Hg2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Hg2+ and one N3+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two Hg2+ and one N3+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Hg2+ and one N3+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Hg2+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Hg2+ and one P5+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to two Hg2+ and one P5+ atom.},
doi = {10.17188/1677309},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}