U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Au2Se3O10 by Materials Project
Abstract
Au2Se3O10 crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of two Au2Se3O10 sheets oriented in the (0, 0, 1) direction. Au5+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Au–O bond distances ranging from 2.02–2.04 Å. There are two inequivalent Se+3.33+ sites. In the first Se+3.33+ site, Se+3.33+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.64 Å) and two longer (1.76 Å) Se–O bond length. In the second Se+3.33+ site, Se+3.33+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.74 Å) and two longer (1.76 Å) Se–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Au5+ and one Se+3.33+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Au5+ and one Se+3.33+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Au5+ and one Se+3.33+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to onemore »
- Publication Date:
- Other Number(s):
- mp-559824
- 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; Au-O-Se; Au2Se3O10; crystal structure
- OSTI Identifier:
- 1271085
- DOI:
- https://doi.org/10.17188/1271085
Citation Formats
Materials Data on Au2Se3O10 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1271085.
Materials Data on Au2Se3O10 by Materials Project. United States. doi:https://doi.org/10.17188/1271085
2020.
"Materials Data on Au2Se3O10 by Materials Project". United States. doi:https://doi.org/10.17188/1271085. https://www.osti.gov/servlets/purl/1271085. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1271085,
title = {Materials Data on Au2Se3O10 by Materials Project},
abstractNote = {Au2Se3O10 crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of two Au2Se3O10 sheets oriented in the (0, 0, 1) direction. Au5+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Au–O bond distances ranging from 2.02–2.04 Å. There are two inequivalent Se+3.33+ sites. In the first Se+3.33+ site, Se+3.33+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.64 Å) and two longer (1.76 Å) Se–O bond length. In the second Se+3.33+ site, Se+3.33+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.74 Å) and two longer (1.76 Å) Se–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Au5+ and one Se+3.33+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Au5+ and one Se+3.33+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Au5+ and one Se+3.33+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Se+3.33+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Au5+ and one Se+3.33+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one Se+3.33+ atom.},
doi = {10.17188/1271085},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}