Materials Data on ZnAgAsO5 by Materials Project
Abstract
AgZnAsO5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Ag3+ is bonded to six O2- atoms to form distorted AgO6 octahedra that share corners with four equivalent AsO4 tetrahedra and edges with two equivalent AgO6 octahedra. There are a spread of Ag–O bond distances ranging from 2.05–2.63 Å. Zn2+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of Zn–O bond distances ranging from 1.94–2.07 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four equivalent AgO6 octahedra. The corner-sharing octahedra tilt angles range from 46–60°. There are a spread of As–O bond distances ranging from 1.70–1.79 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ag3+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Zn2+ and one As5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Ag3+, one Zn2+, and one As5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry tomore »
- Authors:
- Publication Date:
- Other Number(s):
- mvc-5455
- 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; ZnAgAsO5; Ag-As-O-Zn
- OSTI Identifier:
- 1321384
- DOI:
- https://doi.org/10.17188/1321384
Citation Formats
The Materials Project. Materials Data on ZnAgAsO5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1321384.
The Materials Project. Materials Data on ZnAgAsO5 by Materials Project. United States. doi:https://doi.org/10.17188/1321384
The Materials Project. 2020.
"Materials Data on ZnAgAsO5 by Materials Project". United States. doi:https://doi.org/10.17188/1321384. https://www.osti.gov/servlets/purl/1321384. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1321384,
title = {Materials Data on ZnAgAsO5 by Materials Project},
author = {The Materials Project},
abstractNote = {AgZnAsO5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Ag3+ is bonded to six O2- atoms to form distorted AgO6 octahedra that share corners with four equivalent AsO4 tetrahedra and edges with two equivalent AgO6 octahedra. There are a spread of Ag–O bond distances ranging from 2.05–2.63 Å. Zn2+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of Zn–O bond distances ranging from 1.94–2.07 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four equivalent AgO6 octahedra. The corner-sharing octahedra tilt angles range from 46–60°. There are a spread of As–O bond distances ranging from 1.70–1.79 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ag3+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Zn2+ and one As5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Ag3+, one Zn2+, and one As5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ag3+, one Zn2+, and one As5+ atom. In the fifth O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Ag3+ and one Zn2+ atom.},
doi = {10.17188/1321384},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}