U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CuAg2P2O7 by Materials Project
Abstract
Ag2CuP2O7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.37–2.81 Å. Cu2+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.94 Å) and two longer (1.97 Å) Cu–O bond length. P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.52–1.63 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ag1+, one Cu2+, and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ag1+, one Cu2+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Ag1+ and one P5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1213198
- 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; CuAg2P2O7; Ag-Cu-O-P
- OSTI Identifier:
- 1740677
- DOI:
- https://doi.org/10.17188/1740677
Citation Formats
The Materials Project. Materials Data on CuAg2P2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1740677.
The Materials Project. Materials Data on CuAg2P2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1740677
The Materials Project. 2020.
"Materials Data on CuAg2P2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1740677. https://www.osti.gov/servlets/purl/1740677. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1740677,
title = {Materials Data on CuAg2P2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag2CuP2O7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.37–2.81 Å. Cu2+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.94 Å) and two longer (1.97 Å) Cu–O bond length. P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.52–1.63 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ag1+, one Cu2+, and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ag1+, one Cu2+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Ag1+ and one P5+ atom.},
doi = {10.17188/1740677},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}