Materials Data on PrCdGa by Materials Project

Dataset · Sun May 03 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1674084· OSTI ID:1674084

PrCdGa crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to six equivalent Cd and five Ga atoms. There are two shorter (3.37 Å) and four longer (3.56 Å) Pr–Cd bond lengths. There are one shorter (3.16 Å) and four longer (3.19 Å) Pr–Ga bond lengths. Cd is bonded in a 12-coordinate geometry to six equivalent Pr, two equivalent Cd, and four Ga atoms. Both Cd–Cd bond lengths are 3.21 Å. There are two shorter (2.89 Å) and two longer (2.92 Å) Cd–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Cd atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Cd atoms.

• 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: 1674084
• Report Number(s): mp-1079448
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Cd-Ga-Pr
PrCdGa
crystal structure