Skip to main content
OSTI.GOVU.S. Department of Energy Office of Scientific and Technical Information
U.S. Department of Energy
Office of Scientific and Technical Information
 

Materials Data on Pr3(AgSn)4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1273767· OSTI ID:1273767
Pr3Ag4Sn4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 8-coordinate geometry to four Ag and four Sn atoms. There are two shorter (3.29 Å) and two longer (3.30 Å) Pr–Ag bond lengths. There are two shorter (3.28 Å) and two longer (3.42 Å) Pr–Sn bond lengths. In the second Pr site, Pr is bonded to eight Ag and four Sn atoms to form distorted face-sharing PrAg8Sn4 cuboctahedra. There are four shorter (3.43 Å) and four longer (3.44 Å) Pr–Ag bond lengths. There are two shorter (3.06 Å) and two longer (3.32 Å) Pr–Sn bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 8-coordinate geometry to four Pr and four Sn atoms. There are two shorter (2.93 Å) and two longer (3.07 Å) Ag–Sn bond lengths. In the second Ag site, Ag is bonded in a 8-coordinate geometry to four Pr and four Sn atoms. There are two shorter (2.92 Å) and two longer (3.06 Å) Ag–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 7-coordinate geometry to three Pr and four Ag atoms. In the second Sn site, Sn is bonded in a 1-coordinate geometry to three Pr, four Ag, and one Sn atom. The Sn–Sn bond length is 2.81 Å.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1273767
Report Number(s):
mp-567241
Country of Publication:
United States
Language:
English

Similar Records

Materials Data on Pr3(AgSn)4 by Materials Project
Dataset · Sun May 03 00:00:00 EDT 2020 · OSTI ID:1679764
Materials Data on Dy3(AgSn)4 by Materials Project
Dataset · Thu Jul 16 00:00:00 EDT 2020 · OSTI ID:1198993
Materials Data on Ce3(AgSn)4 by Materials Project
Dataset · Wed Jul 22 00:00:00 EDT 2020 · OSTI ID:1276853

Related Subjects

36 MATERIALS SCIENCE
Ag-Pr-Sn
Pr3(AgSn)4
crystal structure