U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ca2Ag7 by Materials Project
Abstract
Ag7Ca2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to fourteen Ag atoms. There are a spread of Ca–Ag bond distances ranging from 3.22–3.42 Å. There are three inequivalent Ag sites. In the first Ag site, Ag is bonded to four equivalent Ca and eight Ag atoms to form a mixture of face, edge, and corner-sharing AgCa4Ag8 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.78–2.94 Å. In the second Ag site, Ag is bonded to four equivalent Ca and eight Ag atoms to form a mixture of face, edge, and corner-sharing AgCa4Ag8 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.79–2.96 Å. In the third Ag site, Ag is bonded in a 12-coordinate geometry to four equivalent Ca and eight Ag atoms. There are a spread of Ag–Ag bond distances ranging from 2.86–3.23 Å.
- Publication Date:
- Other Number(s):
- mp-16770
- 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; Ca2Ag7; crystal structure
- OSTI Identifier:
- 1192155
- DOI:
- https://doi.org/10.17188/1192155
Citation Formats
Materials Data on Ca2Ag7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192155.
Materials Data on Ca2Ag7 by Materials Project. United States. doi:https://doi.org/10.17188/1192155
2020.
"Materials Data on Ca2Ag7 by Materials Project". United States. doi:https://doi.org/10.17188/1192155. https://www.osti.gov/servlets/purl/1192155. Pub date:Tue Jul 14 04:00:00 UTC 2020
@article{osti_1192155,
title = {Materials Data on Ca2Ag7 by Materials Project},
abstractNote = {Ag7Ca2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to fourteen Ag atoms. There are a spread of Ca–Ag bond distances ranging from 3.22–3.42 Å. There are three inequivalent Ag sites. In the first Ag site, Ag is bonded to four equivalent Ca and eight Ag atoms to form a mixture of face, edge, and corner-sharing AgCa4Ag8 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.78–2.94 Å. In the second Ag site, Ag is bonded to four equivalent Ca and eight Ag atoms to form a mixture of face, edge, and corner-sharing AgCa4Ag8 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.79–2.96 Å. In the third Ag site, Ag is bonded in a 12-coordinate geometry to four equivalent Ca and eight Ag atoms. There are a spread of Ag–Ag bond distances ranging from 2.86–3.23 Å.},
doi = {10.17188/1192155},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}