Materials Data on PrGe2Ir by Materials Project

Dataset · Fri Jan 11 04:00:00 EST 2019

DOI:https://doi.org/10.17188/1690786· OSTI ID:1690786

PrIrGe2 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 8-coordinate geometry to four equivalent Ir and ten Ge atoms. All Pr–Ir bond lengths are 3.26 Å. There are a spread of Pr–Ge bond distances ranging from 3.33–3.51 Å. In the second Pr site, Pr is bonded in a 8-coordinate geometry to six equivalent Ir and nine Ge atoms. There are two shorter (3.28 Å) and four longer (3.34 Å) Pr–Ir bond lengths. There are a spread of Pr–Ge bond distances ranging from 3.04–3.49 Å. Ir is bonded in a 10-coordinate geometry to five Pr and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.50–2.68 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to five Pr, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.58 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Pr, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.55 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Pr, three equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.86 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: 1690786
• Report Number(s): mp-1188330
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ge-Ir-Pr
PrGe2Ir
crystal structure