U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ca2Zn3Ag by Materials Project
Abstract
Ca2AgZn3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 12-coordinate geometry to three equivalent Ag and nine Zn atoms. There are one shorter (3.30 Å) and two longer (3.36 Å) Ca–Ag bond lengths. There are a spread of Ca–Zn bond distances ranging from 3.14–3.36 Å. In the second Ca site, Ca is bonded in a 12-coordinate geometry to three equivalent Ag and nine Zn atoms. There are one shorter (3.15 Å) and two longer (3.16 Å) Ca–Ag bond lengths. There are a spread of Ca–Zn bond distances ranging from 3.15–3.42 Å. Ag is bonded in a 10-coordinate geometry to six Ca and four Zn atoms. There are three shorter (2.71 Å) and one longer (2.82 Å) Ag–Zn bond lengths. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to six Ca, one Ag, and three Zn atoms. There are two shorter (2.65 Å) and one longer (2.75 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a 10-coordinate geometry to six Ca, two equivalent Ag, and two Znmore »
- Publication Date:
- Other Number(s):
- mp-1227685
- 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-Zn; Ca2Zn3Ag; crystal structure
- OSTI Identifier:
- 1710939
- DOI:
- https://doi.org/10.17188/1710939
Citation Formats
Materials Data on Ca2Zn3Ag by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1710939.
Materials Data on Ca2Zn3Ag by Materials Project. United States. doi:https://doi.org/10.17188/1710939
2020.
"Materials Data on Ca2Zn3Ag by Materials Project". United States. doi:https://doi.org/10.17188/1710939. https://www.osti.gov/servlets/purl/1710939. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1710939,
title = {Materials Data on Ca2Zn3Ag by Materials Project},
abstractNote = {Ca2AgZn3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 12-coordinate geometry to three equivalent Ag and nine Zn atoms. There are one shorter (3.30 Å) and two longer (3.36 Å) Ca–Ag bond lengths. There are a spread of Ca–Zn bond distances ranging from 3.14–3.36 Å. In the second Ca site, Ca is bonded in a 12-coordinate geometry to three equivalent Ag and nine Zn atoms. There are one shorter (3.15 Å) and two longer (3.16 Å) Ca–Ag bond lengths. There are a spread of Ca–Zn bond distances ranging from 3.15–3.42 Å. Ag is bonded in a 10-coordinate geometry to six Ca and four Zn atoms. There are three shorter (2.71 Å) and one longer (2.82 Å) Ag–Zn bond lengths. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to six Ca, one Ag, and three Zn atoms. There are two shorter (2.65 Å) and one longer (2.75 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a 10-coordinate geometry to six Ca, two equivalent Ag, and two Zn atoms. The Zn–Zn bond length is 2.62 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to six Ca, one Ag, and three Zn atoms.},
doi = {10.17188/1710939},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}