U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Nd3(AgSn)4 by Materials Project
Abstract
Nd3(AgSn)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to six Sn atoms to form distorted edge-sharing NdSn6 octahedra. There are four shorter (3.27 Å) and two longer (3.36 Å) Nd–Sn bond lengths. In the second Nd site, Nd is bonded in a 12-coordinate geometry to six equivalent Ag and six Sn atoms. There are four shorter (3.32 Å) and two longer (3.45 Å) Nd–Ag bond lengths. There are two shorter (3.38 Å) and four longer (3.42 Å) Nd–Sn bond lengths. Ag is bonded in a 12-coordinate geometry to three equivalent Nd, one Ag, and four Sn atoms. The Ag–Ag bond length is 2.90 Å. There are a spread of Ag–Sn bond distances ranging from 2.78–2.89 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three Nd and six equivalent Ag atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Nd, two equivalent Ag, and one Sn atom. The Sn–Sn bond length is 2.88 Å.
- Publication Date:
- Other Number(s):
- mp-1102578
- 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-Nd-Sn; Nd3(AgSn)4; crystal structure
- OSTI Identifier:
- 1711441
- DOI:
- https://doi.org/10.17188/1711441
Citation Formats
Materials Data on Nd3(AgSn)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1711441.
Materials Data on Nd3(AgSn)4 by Materials Project. United States. doi:https://doi.org/10.17188/1711441
2020.
"Materials Data on Nd3(AgSn)4 by Materials Project". United States. doi:https://doi.org/10.17188/1711441. https://www.osti.gov/servlets/purl/1711441. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1711441,
title = {Materials Data on Nd3(AgSn)4 by Materials Project},
abstractNote = {Nd3(AgSn)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to six Sn atoms to form distorted edge-sharing NdSn6 octahedra. There are four shorter (3.27 Å) and two longer (3.36 Å) Nd–Sn bond lengths. In the second Nd site, Nd is bonded in a 12-coordinate geometry to six equivalent Ag and six Sn atoms. There are four shorter (3.32 Å) and two longer (3.45 Å) Nd–Ag bond lengths. There are two shorter (3.38 Å) and four longer (3.42 Å) Nd–Sn bond lengths. Ag is bonded in a 12-coordinate geometry to three equivalent Nd, one Ag, and four Sn atoms. The Ag–Ag bond length is 2.90 Å. There are a spread of Ag–Sn bond distances ranging from 2.78–2.89 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three Nd and six equivalent Ag atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Nd, two equivalent Ag, and one Sn atom. The Sn–Sn bond length is 2.88 Å.},
doi = {10.17188/1711441},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}