U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ca5Ag3 by Materials Project
Abstract
Ag3Ca5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded to five Ag atoms to form a mixture of distorted edge, corner, and face-sharing CaAg5 trigonal bipyramids. There are a spread of Ca–Ag bond distances ranging from 3.19–3.37 Å. In the second Ca site, Ca is bonded in a distorted square co-planar geometry to six Ag atoms. There are four shorter (3.16 Å) and two longer (3.74 Å) Ca–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 10-coordinate geometry to ten Ca atoms. In the second Ag site, Ag is bonded in a 9-coordinate geometry to eight Ca and one Ag atom. The Ag–Ag bond length is 2.88 Å.
- Publication Date:
- Other Number(s):
- mp-31172
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Ag-Ca; Ca5Ag3; crystal structure
- OSTI Identifier:
- 1205478
- DOI:
- https://doi.org/10.17188/1205478
Citation Formats
Materials Data on Ca5Ag3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1205478.
Materials Data on Ca5Ag3 by Materials Project. United States. doi:https://doi.org/10.17188/1205478
2020.
"Materials Data on Ca5Ag3 by Materials Project". United States. doi:https://doi.org/10.17188/1205478. https://www.osti.gov/servlets/purl/1205478. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1205478,
title = {Materials Data on Ca5Ag3 by Materials Project},
abstractNote = {Ag3Ca5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded to five Ag atoms to form a mixture of distorted edge, corner, and face-sharing CaAg5 trigonal bipyramids. There are a spread of Ca–Ag bond distances ranging from 3.19–3.37 Å. In the second Ca site, Ca is bonded in a distorted square co-planar geometry to six Ag atoms. There are four shorter (3.16 Å) and two longer (3.74 Å) Ca–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 10-coordinate geometry to ten Ca atoms. In the second Ag site, Ag is bonded in a 9-coordinate geometry to eight Ca and one Ag atom. The Ag–Ag bond length is 2.88 Å.},
doi = {10.17188/1205478},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}