U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ca4ZnAg3 by Materials Project
Abstract
Ca4Ag3Zn crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are four inequivalent Ca sites. In the first Ca site, Ca is bonded in a 7-coordinate geometry to six Ag and one Zn atom. There are four shorter (3.20 Å) and two longer (3.22 Å) Ca–Ag bond lengths. The Ca–Zn bond length is 3.26 Å. In the second Ca site, Ca is bonded in a 7-coordinate geometry to five Ag and two equivalent Zn atoms. There are four shorter (3.21 Å) and one longer (3.24 Å) Ca–Ag bond lengths. Both Ca–Zn bond lengths are 3.17 Å. In the third Ca site, Ca is bonded in a 7-coordinate geometry to three Ag and four equivalent Zn atoms. There are two shorter (3.16 Å) and one longer (3.24 Å) Ca–Ag bond lengths. All Ca–Zn bond lengths are 3.20 Å. In the fourth Ca site, Ca is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Ca–Ag bond distances ranging from 3.20–3.28 Å. There are three inequivalent Ag sites. In the first Ag site, Ag is bonded in a 9-coordinate geometry to seven Ca and two equivalent Ag atoms. Both Ag–Ag bond lengths are 2.89more »
- Publication Date:
- Other Number(s):
- mp-1227017
- 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; Ca4ZnAg3; crystal structure
- OSTI Identifier:
- 1679162
- DOI:
- https://doi.org/10.17188/1679162
Citation Formats
Materials Data on Ca4ZnAg3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1679162.
Materials Data on Ca4ZnAg3 by Materials Project. United States. doi:https://doi.org/10.17188/1679162
2020.
"Materials Data on Ca4ZnAg3 by Materials Project". United States. doi:https://doi.org/10.17188/1679162. https://www.osti.gov/servlets/purl/1679162. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1679162,
title = {Materials Data on Ca4ZnAg3 by Materials Project},
abstractNote = {Ca4Ag3Zn crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are four inequivalent Ca sites. In the first Ca site, Ca is bonded in a 7-coordinate geometry to six Ag and one Zn atom. There are four shorter (3.20 Å) and two longer (3.22 Å) Ca–Ag bond lengths. The Ca–Zn bond length is 3.26 Å. In the second Ca site, Ca is bonded in a 7-coordinate geometry to five Ag and two equivalent Zn atoms. There are four shorter (3.21 Å) and one longer (3.24 Å) Ca–Ag bond lengths. Both Ca–Zn bond lengths are 3.17 Å. In the third Ca site, Ca is bonded in a 7-coordinate geometry to three Ag and four equivalent Zn atoms. There are two shorter (3.16 Å) and one longer (3.24 Å) Ca–Ag bond lengths. All Ca–Zn bond lengths are 3.20 Å. In the fourth Ca site, Ca is bonded in a 7-coordinate geometry to seven Ag atoms. There are a spread of Ca–Ag bond distances ranging from 3.20–3.28 Å. There are three inequivalent Ag sites. In the first Ag site, Ag is bonded in a 9-coordinate geometry to seven Ca and two equivalent Ag atoms. Both Ag–Ag bond lengths are 2.89 Å. In the second Ag site, Ag is bonded in a 9-coordinate geometry to seven Ca and two equivalent Ag atoms. In the third Ag site, Ag is bonded in a 9-coordinate geometry to seven Ca and two equivalent Zn atoms. Both Ag–Zn bond lengths are 2.83 Å. Zn is bonded in a 9-coordinate geometry to seven Ca and two equivalent Ag atoms.},
doi = {10.17188/1679162},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}