U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Nd3(AgGe)4 by Materials Project
Abstract
Nd3Ag4Ge4 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 in a 12-coordinate geometry to six equivalent Ag and six Ge atoms. There are four shorter (3.20 Å) and two longer (3.33 Å) Nd–Ag bond lengths. All Nd–Ge bond lengths are 3.21 Å. In the second Nd site, Nd is bonded to eight equivalent Ag and six Ge atoms to form distorted face-sharing NdAg8Ge6 octahedra. All Nd–Ag bond lengths are 3.63 Å. All Nd–Ge bond lengths are 3.21 Å. Ag is bonded in a 12-coordinate geometry to five Nd, one Ag, and four Ge atoms. The Ag–Ag bond length is 2.82 Å. There are a spread of Ag–Ge bond distances ranging from 2.65–2.78 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Nd and six equivalent Ag atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Nd, two equivalent Ag, and one Ge atom. The Ge–Ge bond length is 2.62 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1206903
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Nd3(AgGe)4; Ag-Ge-Nd
- OSTI Identifier:
- 1708807
- DOI:
- https://doi.org/10.17188/1708807
Citation Formats
The Materials Project. Materials Data on Nd3(AgGe)4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1708807.
The Materials Project. Materials Data on Nd3(AgGe)4 by Materials Project. United States. doi:https://doi.org/10.17188/1708807
The Materials Project. 2019.
"Materials Data on Nd3(AgGe)4 by Materials Project". United States. doi:https://doi.org/10.17188/1708807. https://www.osti.gov/servlets/purl/1708807. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1708807,
title = {Materials Data on Nd3(AgGe)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd3Ag4Ge4 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 in a 12-coordinate geometry to six equivalent Ag and six Ge atoms. There are four shorter (3.20 Å) and two longer (3.33 Å) Nd–Ag bond lengths. All Nd–Ge bond lengths are 3.21 Å. In the second Nd site, Nd is bonded to eight equivalent Ag and six Ge atoms to form distorted face-sharing NdAg8Ge6 octahedra. All Nd–Ag bond lengths are 3.63 Å. All Nd–Ge bond lengths are 3.21 Å. Ag is bonded in a 12-coordinate geometry to five Nd, one Ag, and four Ge atoms. The Ag–Ag bond length is 2.82 Å. There are a spread of Ag–Ge bond distances ranging from 2.65–2.78 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Nd and six equivalent Ag atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Nd, two equivalent Ag, and one Ge atom. The Ge–Ge bond length is 2.62 Å.},
doi = {10.17188/1708807},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jan 12 00:00:00 EST 2019},
month = {Sat Jan 12 00:00:00 EST 2019}
}