U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on HgP2PdO7 by Materials Project
Abstract
PdHgP2O7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Pd2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.03 Å) and two longer (2.06 Å) Pd–O bond lengths. Hg2+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Hg–O bond distances ranging from 2.10–2.97 Å. P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.53–1.63 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Pd2+, one Hg2+, and one P5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Hg2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Pd2+, one Hg2+, and one P5+ atom.
- Publication Date:
- Other Number(s):
- mp-1190352
- 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-O-P-Pd; HgP2PdO7; crystal structure
- OSTI Identifier:
- 1744758
- DOI:
- https://doi.org/10.17188/1744758
Citation Formats
Materials Data on HgP2PdO7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1744758.
Materials Data on HgP2PdO7 by Materials Project. United States. doi:https://doi.org/10.17188/1744758
2020.
"Materials Data on HgP2PdO7 by Materials Project". United States. doi:https://doi.org/10.17188/1744758. https://www.osti.gov/servlets/purl/1744758. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1744758,
title = {Materials Data on HgP2PdO7 by Materials Project},
abstractNote = {PdHgP2O7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Pd2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.03 Å) and two longer (2.06 Å) Pd–O bond lengths. Hg2+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Hg–O bond distances ranging from 2.10–2.97 Å. P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.53–1.63 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Pd2+, one Hg2+, and one P5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Hg2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Pd2+, one Hg2+, and one P5+ atom.},
doi = {10.17188/1744758},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}