U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ca2CuAg by Materials Project
Abstract
Ca2AgCu crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 7-coordinate geometry to three equivalent Ag and four equivalent Cu atoms. There are two shorter (3.11 Å) and one longer (3.25 Å) Ca–Ag bond lengths. All Ca–Cu bond lengths are 3.16 Å. In the second Ca site, Ca is bonded in a 7-coordinate geometry to four equivalent Ag and three equivalent Cu atoms. All Ca–Ag bond lengths are 3.17 Å. There are two shorter (3.12 Å) and one longer (3.24 Å) Ca–Cu bond lengths. Ag is bonded in a 9-coordinate geometry to seven Ca and two equivalent Cu atoms. Both Ag–Cu bond lengths are 2.74 Å. Cu is bonded in a 9-coordinate geometry to seven Ca and two equivalent Ag atoms.
- Publication Date:
- Other Number(s):
- mp-1227346
- 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-Cu; Ca2CuAg; crystal structure
- OSTI Identifier:
- 1705943
- DOI:
- https://doi.org/10.17188/1705943
Citation Formats
Materials Data on Ca2CuAg by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1705943.
Materials Data on Ca2CuAg by Materials Project. United States. doi:https://doi.org/10.17188/1705943
2020.
"Materials Data on Ca2CuAg by Materials Project". United States. doi:https://doi.org/10.17188/1705943. https://www.osti.gov/servlets/purl/1705943. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1705943,
title = {Materials Data on Ca2CuAg by Materials Project},
abstractNote = {Ca2AgCu crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 7-coordinate geometry to three equivalent Ag and four equivalent Cu atoms. There are two shorter (3.11 Å) and one longer (3.25 Å) Ca–Ag bond lengths. All Ca–Cu bond lengths are 3.16 Å. In the second Ca site, Ca is bonded in a 7-coordinate geometry to four equivalent Ag and three equivalent Cu atoms. All Ca–Ag bond lengths are 3.17 Å. There are two shorter (3.12 Å) and one longer (3.24 Å) Ca–Cu bond lengths. Ag is bonded in a 9-coordinate geometry to seven Ca and two equivalent Cu atoms. Both Ag–Cu bond lengths are 2.74 Å. Cu is bonded in a 9-coordinate geometry to seven Ca and two equivalent Ag atoms.},
doi = {10.17188/1705943},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}