U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cu2AgH(SeO5)2 by Materials Project
Abstract
AgCu2H(SeO5)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ag3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are six shorter (2.59 Å) and two longer (2.82 Å) Ag–O bond lengths. Cu2+ is bonded to six O2- atoms to form distorted CuO6 octahedra that share corners with four equivalent SeO4 tetrahedra and edges with two equivalent CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.89–2.36 Å. H1+ is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.23 Å. Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with four equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 42–61°. There are a spread of Se–O bond distances ranging from 1.65–1.72 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cu2+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ag3+, one Cu2+, and one Se6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Ag3+,more »
- Publication Date:
- Other Number(s):
- mp-1213178
- 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; Ag-Cu-H-O-Se; Cu2AgH(SeO5)2; crystal structure
- OSTI Identifier:
- 1679181
- DOI:
- https://doi.org/10.17188/1679181
Citation Formats
Materials Data on Cu2AgH(SeO5)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1679181.
Materials Data on Cu2AgH(SeO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1679181
2020.
"Materials Data on Cu2AgH(SeO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1679181. https://www.osti.gov/servlets/purl/1679181. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1679181,
title = {Materials Data on Cu2AgH(SeO5)2 by Materials Project},
abstractNote = {AgCu2H(SeO5)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ag3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are six shorter (2.59 Å) and two longer (2.82 Å) Ag–O bond lengths. Cu2+ is bonded to six O2- atoms to form distorted CuO6 octahedra that share corners with four equivalent SeO4 tetrahedra and edges with two equivalent CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.89–2.36 Å. H1+ is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.23 Å. Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with four equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 42–61°. There are a spread of Se–O bond distances ranging from 1.65–1.72 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cu2+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ag3+, one Cu2+, and one Se6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Ag3+, two equivalent Cu2+, and one Se6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Ag3+ and one Se6+ atom.},
doi = {10.17188/1679181},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}