Materials Data on GdZr by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1672582· OSTI ID:1672582

GdZr crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Gd is bonded to six equivalent Gd and six equivalent Zr atoms to form GdGd6Zr6 cuboctahedra that share corners with eighteen equivalent GdGd6Zr6 cuboctahedra, edges with six equivalent GdGd6Zr6 cuboctahedra, edges with twelve equivalent ZrGd6Zr6 cuboctahedra, faces with eight equivalent GdGd6Zr6 cuboctahedra, and faces with twelve equivalent ZrGd6Zr6 cuboctahedra. All Gd–Gd bond lengths are 3.39 Å. All Gd–Zr bond lengths are 3.35 Å. Zr is bonded to six equivalent Gd and six equivalent Zr atoms to form ZrGd6Zr6 cuboctahedra that share corners with eighteen equivalent ZrGd6Zr6 cuboctahedra, edges with six equivalent ZrGd6Zr6 cuboctahedra, edges with twelve equivalent GdGd6Zr6 cuboctahedra, faces with eight equivalent ZrGd6Zr6 cuboctahedra, and faces with twelve equivalent GdGd6Zr6 cuboctahedra. All Zr–Zr bond lengths are 3.39 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: 1672582
• Report Number(s): mp-1184763
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Gd-Zr
GdZr
crystal structure