Materials Data on Pr2NiGe4 by Materials Project

Dataset · Sat Jan 12 04:00:00 EST 2019

DOI:https://doi.org/10.17188/1696543· OSTI ID:1696543

Pr2NiGe4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Pr–Ge bond distances ranging from 3.11–3.34 Å. In the second Pr site, Pr is bonded in a 4-coordinate geometry to four equivalent Ni and ten Ge atoms. All Pr–Ni bond lengths are 3.25 Å. There are a spread of Pr–Ge bond distances ranging from 3.11–3.28 Å. Ni is bonded in a 5-coordinate geometry to four equivalent Pr and five Ge atoms. There are three shorter (2.36 Å) and two longer (2.40 Å) Ni–Ge bond lengths. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six Pr, one Ni, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.57 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six Pr and two equivalent Ge atoms. In the third Ge site, Ge is bonded in a 10-coordinate geometry to four Pr, two equivalent Ni, and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.95 Å. In the fourth Ge site, Ge is bonded in a 10-coordinate geometry to four Pr, two equivalent Ni, and four equivalent Ge 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: 1696543
• Report Number(s): mp-1219850
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ge-Ni-Pr
Pr2NiGe4
crystal structure