U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Zn2AgSbO6 by Materials Project
Abstract
AgZn2SbO6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ag3+ is bonded to six O2- atoms to form distorted AgO6 octahedra that share corners with two equivalent AgO6 octahedra, corners with four equivalent SbO6 octahedra, and corners with four equivalent ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 44–53°. There are a spread of Ag–O bond distances ranging from 2.05–2.58 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Zn–O bond distances ranging from 2.05–2.22 Å. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent AgO6 octahedra and corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 60–83°. There are a spread of Zn–O bond distances ranging from 2.00–2.09 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent AgO6 octahedra, and corners with four equivalent ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 46–53°. There are a spread of Sb–O bond distances rangingmore »
- Authors:
- Publication Date:
- Other Number(s):
- mvc-3959
- 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; Zn2AgSbO6; Ag-O-Sb-Zn
- OSTI Identifier:
- 1320782
- DOI:
- https://doi.org/10.17188/1320782
Citation Formats
The Materials Project. Materials Data on Zn2AgSbO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1320782.
The Materials Project. Materials Data on Zn2AgSbO6 by Materials Project. United States. doi:https://doi.org/10.17188/1320782
The Materials Project. 2020.
"Materials Data on Zn2AgSbO6 by Materials Project". United States. doi:https://doi.org/10.17188/1320782. https://www.osti.gov/servlets/purl/1320782. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1320782,
title = {Materials Data on Zn2AgSbO6 by Materials Project},
author = {The Materials Project},
abstractNote = {AgZn2SbO6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ag3+ is bonded to six O2- atoms to form distorted AgO6 octahedra that share corners with two equivalent AgO6 octahedra, corners with four equivalent SbO6 octahedra, and corners with four equivalent ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 44–53°. There are a spread of Ag–O bond distances ranging from 2.05–2.58 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Zn–O bond distances ranging from 2.05–2.22 Å. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent AgO6 octahedra and corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 60–83°. There are a spread of Zn–O bond distances ranging from 2.00–2.09 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent AgO6 octahedra, and corners with four equivalent ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 46–53°. There are a spread of Sb–O bond distances ranging from 1.94–2.16 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ag3+, one Zn2+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Ag3+, one Zn2+, and one Sb5+ atom. In the third O2- site, O2- is bonded to two Zn2+ and two equivalent Sb5+ atoms to form OZn2Sb2 tetrahedra that share corners with two equivalent OZn2Sb2 tetrahedra and corners with two equivalent OZn2Ag2 trigonal pyramids. In the fourth O2- site, O2- is bonded to two equivalent Ag3+ and two Zn2+ atoms to form distorted OZn2Ag2 trigonal pyramids that share corners with two equivalent OZn2Sb2 tetrahedra and corners with two equivalent OZn2Ag2 trigonal pyramids.},
doi = {10.17188/1320782},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}