U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Pr3(AgGe)4 by Materials Project
Abstract
Pr3Ag4Ge4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to six equivalent Ag and six Ge atoms. There are four shorter (3.21 Å) and two longer (3.35 Å) Pr–Ag bond lengths. There are four shorter (3.22 Å) and two longer (3.23 Å) Pr–Ge bond lengths. In the second Pr site, Pr is bonded to eight equivalent Ag and six Ge atoms to form distorted face-sharing PrAg8Ge6 octahedra. All Pr–Ag bond lengths are 3.65 Å. There are four shorter (3.22 Å) and two longer (3.23 Å) Pr–Ge bond lengths. Ag is bonded in a 12-coordinate geometry to five Pr, 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 2.67–2.80 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Pr and six equivalent Ag atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Pr, two equivalent Ag, and one Ge atom. The Ge–Ge bond length is 2.63 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1205486
- 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; Pr3(AgGe)4; Ag-Ge-Pr
- OSTI Identifier:
- 1728134
- DOI:
- https://doi.org/10.17188/1728134
Citation Formats
The Materials Project. Materials Data on Pr3(AgGe)4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1728134.
The Materials Project. Materials Data on Pr3(AgGe)4 by Materials Project. United States. doi:https://doi.org/10.17188/1728134
The Materials Project. 2019.
"Materials Data on Pr3(AgGe)4 by Materials Project". United States. doi:https://doi.org/10.17188/1728134. https://www.osti.gov/servlets/purl/1728134. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1728134,
title = {Materials Data on Pr3(AgGe)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr3Ag4Ge4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to six equivalent Ag and six Ge atoms. There are four shorter (3.21 Å) and two longer (3.35 Å) Pr–Ag bond lengths. There are four shorter (3.22 Å) and two longer (3.23 Å) Pr–Ge bond lengths. In the second Pr site, Pr is bonded to eight equivalent Ag and six Ge atoms to form distorted face-sharing PrAg8Ge6 octahedra. All Pr–Ag bond lengths are 3.65 Å. There are four shorter (3.22 Å) and two longer (3.23 Å) Pr–Ge bond lengths. Ag is bonded in a 12-coordinate geometry to five Pr, 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 2.67–2.80 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Pr and six equivalent Ag atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Pr, two equivalent Ag, and one Ge atom. The Ge–Ge bond length is 2.63 Å.},
doi = {10.17188/1728134},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jan 12 00:00:00 EST 2019},
month = {Sat Jan 12 00:00:00 EST 2019}
}