U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Nd3(CuGe)4 by Materials Project
Abstract
Nd3(CuGe)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 in a 12-coordinate geometry to six equivalent Cu and six Ge atoms. There are four shorter (3.07 Å) and two longer (3.15 Å) Nd–Cu bond lengths. There are two shorter (3.07 Å) and four longer (3.15 Å) Nd–Ge bond lengths. In the second Nd site, Nd is bonded to eight equivalent Cu and six Ge atoms to form distorted face-sharing NdCu8Ge6 octahedra. All Nd–Cu bond lengths are 3.46 Å. There are four shorter (3.01 Å) and two longer (3.10 Å) Nd–Ge bond lengths. Cu is bonded in a 10-coordinate geometry to five Nd, one Cu, and four Ge atoms. The Cu–Cu bond length is 2.51 Å. There are a spread of Cu–Ge bond distances ranging from 2.53–2.71 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Nd, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.55 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three Nd and six equivalent Cu atoms.
- Publication Date:
- Other Number(s):
- mp-505292
- 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; Cu-Ge-Nd; Nd3(CuGe)4; crystal structure
- OSTI Identifier:
- 1262418
- DOI:
- https://doi.org/10.17188/1262418
Citation Formats
Materials Data on Nd3(CuGe)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1262418.
Materials Data on Nd3(CuGe)4 by Materials Project. United States. doi:https://doi.org/10.17188/1262418
2020.
"Materials Data on Nd3(CuGe)4 by Materials Project". United States. doi:https://doi.org/10.17188/1262418. https://www.osti.gov/servlets/purl/1262418. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1262418,
title = {Materials Data on Nd3(CuGe)4 by Materials Project},
abstractNote = {Nd3(CuGe)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 in a 12-coordinate geometry to six equivalent Cu and six Ge atoms. There are four shorter (3.07 Å) and two longer (3.15 Å) Nd–Cu bond lengths. There are two shorter (3.07 Å) and four longer (3.15 Å) Nd–Ge bond lengths. In the second Nd site, Nd is bonded to eight equivalent Cu and six Ge atoms to form distorted face-sharing NdCu8Ge6 octahedra. All Nd–Cu bond lengths are 3.46 Å. There are four shorter (3.01 Å) and two longer (3.10 Å) Nd–Ge bond lengths. Cu is bonded in a 10-coordinate geometry to five Nd, one Cu, and four Ge atoms. The Cu–Cu bond length is 2.51 Å. There are a spread of Cu–Ge bond distances ranging from 2.53–2.71 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Nd, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.55 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three Nd and six equivalent Cu atoms.},
doi = {10.17188/1262418},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}