U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgAgAsO5 by Materials Project
Abstract
MgAgAsO5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Mg2+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are a spread of Mg–O bond distances ranging from 2.00–2.08 Å. Ag3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.01–2.61 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.70–1.80 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ag3+ and one As5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mg2+, one Ag3+, and one As5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Mg2+, one Ag3+, and one As5+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Mg2+ and two equivalent Ag3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mvc-5377
- 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; MgAgAsO5; Ag-As-Mg-O
- OSTI Identifier:
- 1321366
- DOI:
- https://doi.org/10.17188/1321366
Citation Formats
The Materials Project. Materials Data on MgAgAsO5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1321366.
The Materials Project. Materials Data on MgAgAsO5 by Materials Project. United States. doi:https://doi.org/10.17188/1321366
The Materials Project. 2020.
"Materials Data on MgAgAsO5 by Materials Project". United States. doi:https://doi.org/10.17188/1321366. https://www.osti.gov/servlets/purl/1321366. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1321366,
title = {Materials Data on MgAgAsO5 by Materials Project},
author = {The Materials Project},
abstractNote = {MgAgAsO5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Mg2+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are a spread of Mg–O bond distances ranging from 2.00–2.08 Å. Ag3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.01–2.61 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.70–1.80 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ag3+ and one As5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mg2+, one Ag3+, and one As5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Mg2+, one Ag3+, and one As5+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Mg2+ and two equivalent Ag3+ atoms.},
doi = {10.17188/1321366},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}