U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Co3Ag(AsO4)3 by Materials Project
Abstract
Co3Ag(AsO4)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Co+2.67+ sites. In the first Co+2.67+ site, Co+2.67+ is bonded to six O2- atoms to form distorted CoO6 octahedra that share corners with six AsO4 tetrahedra and edges with two equivalent CoO6 octahedra. There are a spread of Co–O bond distances ranging from 2.03–2.17 Å. In the second Co+2.67+ site, Co+2.67+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six AsO4 tetrahedra and edges with two CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.88–2.11 Å. Ag1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. There are two shorter (2.38 Å) and two longer (2.48 Å) Ag–O bond lengths. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with six CoO6 octahedra. The corner-sharing octahedra tilt angles range from 56–59°. There is two shorter (1.73 Å) and two longer (1.74 Å) As–O bond length. In the second As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share cornersmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1203651
- 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; Co3Ag(AsO4)3; Ag-As-Co-O
- OSTI Identifier:
- 1707462
- DOI:
- https://doi.org/10.17188/1707462
Citation Formats
The Materials Project. Materials Data on Co3Ag(AsO4)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1707462.
The Materials Project. Materials Data on Co3Ag(AsO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1707462
The Materials Project. 2020.
"Materials Data on Co3Ag(AsO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1707462. https://www.osti.gov/servlets/purl/1707462. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1707462,
title = {Materials Data on Co3Ag(AsO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Co3Ag(AsO4)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Co+2.67+ sites. In the first Co+2.67+ site, Co+2.67+ is bonded to six O2- atoms to form distorted CoO6 octahedra that share corners with six AsO4 tetrahedra and edges with two equivalent CoO6 octahedra. There are a spread of Co–O bond distances ranging from 2.03–2.17 Å. In the second Co+2.67+ site, Co+2.67+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six AsO4 tetrahedra and edges with two CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.88–2.11 Å. Ag1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. There are two shorter (2.38 Å) and two longer (2.48 Å) Ag–O bond lengths. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with six CoO6 octahedra. The corner-sharing octahedra tilt angles range from 56–59°. There is two shorter (1.73 Å) and two longer (1.74 Å) As–O bond length. In the second As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with six CoO6 octahedra. The corner-sharing octahedra tilt angles range from 43–63°. There are a spread of As–O bond distances ranging from 1.67–1.76 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Co+2.67+ and one As5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Co+2.67+ and one As5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Co+2.67+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Co+2.67+ and one As5+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Co+2.67+ and one As5+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to one Co+2.67+, two equivalent Ag1+, and one As5+ atom.},
doi = {10.17188/1707462},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}