U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CeAgAs2 by Materials Project
Abstract
CeAgAs2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight As2- atoms. There are a spread of Ce–As bond distances ranging from 3.02–3.07 Å. In the second Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight As2- atoms. There are a spread of Ce–As bond distances ranging from 3.02–3.07 Å. There are eight inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to four Ag1+ and four As2- atoms. There are one shorter (2.88 Å) and three longer (2.89 Å) Ag–Ag bond lengths. There are two shorter (2.79 Å) and two longer (2.81 Å) Ag–As bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to four Ag1+ and four As2- atoms. There are one shorter (2.88 Å) and three longer (2.89 Å) Ag–Ag bond lengths. There are two shorter (2.79 Å) and two longer (2.81 Å) Ag–As bond lengths. In the third Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to four Ag1+ and four As2- atoms. There are one shorter (2.88 Å) andmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-985705
- 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; CeAgAs2; Ag-As-Ce
- OSTI Identifier:
- 1316747
- DOI:
- https://doi.org/10.17188/1316747
Citation Formats
The Materials Project. Materials Data on CeAgAs2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316747.
The Materials Project. Materials Data on CeAgAs2 by Materials Project. United States. doi:https://doi.org/10.17188/1316747
The Materials Project. 2020.
"Materials Data on CeAgAs2 by Materials Project". United States. doi:https://doi.org/10.17188/1316747. https://www.osti.gov/servlets/purl/1316747. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1316747,
title = {Materials Data on CeAgAs2 by Materials Project},
author = {The Materials Project},
abstractNote = {CeAgAs2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight As2- atoms. There are a spread of Ce–As bond distances ranging from 3.02–3.07 Å. In the second Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight As2- atoms. There are a spread of Ce–As bond distances ranging from 3.02–3.07 Å. There are eight inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to four Ag1+ and four As2- atoms. There are one shorter (2.88 Å) and three longer (2.89 Å) Ag–Ag bond lengths. There are two shorter (2.79 Å) and two longer (2.81 Å) Ag–As bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to four Ag1+ and four As2- atoms. There are one shorter (2.88 Å) and three longer (2.89 Å) Ag–Ag bond lengths. There are two shorter (2.79 Å) and two longer (2.81 Å) Ag–As bond lengths. In the third Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to four Ag1+ and four As2- atoms. There are one shorter (2.88 Å) and one longer (2.89 Å) Ag–Ag bond lengths. There are two shorter (2.79 Å) and two longer (2.81 Å) Ag–As bond lengths. In the fourth Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to four Ag1+ and four As2- atoms. There are one shorter (2.88 Å) and one longer (2.89 Å) Ag–Ag bond lengths. There are two shorter (2.79 Å) and two longer (2.81 Å) Ag–As bond lengths. In the fifth Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to four Ag1+ and four As2- atoms. Both Ag–Ag bond lengths are 2.89 Å. There are two shorter (2.79 Å) and two longer (2.81 Å) Ag–As bond lengths. In the sixth Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to four Ag1+ and four As2- atoms. Both Ag–Ag bond lengths are 2.89 Å. There are two shorter (2.79 Å) and two longer (2.81 Å) Ag–As bond lengths. In the seventh Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to four Ag1+ and four As2- atoms. There are two shorter (2.79 Å) and two longer (2.81 Å) Ag–As bond lengths. In the eighth Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to four Ag1+ and four As2- atoms. There are two shorter (2.79 Å) and two longer (2.81 Å) Ag–As bond lengths. There are three inequivalent As2- sites. In the first As2- site, As2- is bonded in a 8-coordinate geometry to four Ce3+ and four Ag1+ atoms. In the second As2- site, As2- is bonded in a 8-coordinate geometry to four Ce3+ and four Ag1+ atoms. In the third As2- site, As2- is bonded in a 8-coordinate geometry to four Ce3+ and four equivalent As2- atoms. There are a spread of As–As bond distances ranging from 2.86–2.92 Å.},
doi = {10.17188/1316747},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jul 18 00:00:00 EDT 2020},
month = {Sat Jul 18 00:00:00 EDT 2020}
}