Materials Data on NaHgPO4 by Materials Project
Abstract
NaHgPO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with six equivalent PO4 tetrahedra and edges with two equivalent NaO6 octahedra. There are four shorter (2.42 Å) and two longer (2.48 Å) Na–O bond lengths. Hg2+ is bonded in a 2-coordinate geometry to four O2- atoms. There are two shorter (2.14 Å) and two longer (2.59 Å) Hg–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with six equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 40–46°. There is two shorter (1.55 Å) and two longer (1.58 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, one Hg2+, and one P5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Hg2+, and one P5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-8153
- 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; NaHgPO4; Hg-Na-O-P
- OSTI Identifier:
- 1282259
- DOI:
- https://doi.org/10.17188/1282259
Citation Formats
The Materials Project. Materials Data on NaHgPO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1282259.
The Materials Project. Materials Data on NaHgPO4 by Materials Project. United States. doi:https://doi.org/10.17188/1282259
The Materials Project. 2020.
"Materials Data on NaHgPO4 by Materials Project". United States. doi:https://doi.org/10.17188/1282259. https://www.osti.gov/servlets/purl/1282259. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1282259,
title = {Materials Data on NaHgPO4 by Materials Project},
author = {The Materials Project},
abstractNote = {NaHgPO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with six equivalent PO4 tetrahedra and edges with two equivalent NaO6 octahedra. There are four shorter (2.42 Å) and two longer (2.48 Å) Na–O bond lengths. Hg2+ is bonded in a 2-coordinate geometry to four O2- atoms. There are two shorter (2.14 Å) and two longer (2.59 Å) Hg–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with six equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 40–46°. There is two shorter (1.55 Å) and two longer (1.58 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, one Hg2+, and one P5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Hg2+, and one P5+ atom.},
doi = {10.17188/1282259},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}