Materials Data on GdCo2Ni2B by Materials Project

Dataset · Wed Jul 22 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1655405· OSTI ID:1655405

GdCo2Ni2B crystallizes in the orthorhombic Cmm2 space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 6-coordinate geometry to six equivalent Ni atoms. There are four shorter (2.89 Å) and two longer (2.93 Å) Gd–Ni bond lengths. In the second Gd site, Gd is bonded in a 12-coordinate geometry to eight Co, four equivalent Ni, and six equivalent B atoms. There are four shorter (2.88 Å) and four longer (2.89 Å) Gd–Co bond lengths. All Gd–Ni bond lengths are 2.90 Å. There are four shorter (2.90 Å) and two longer (2.92 Å) Gd–B bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Gd, two equivalent Ni, and two equivalent B atoms. Both Co–Ni bond lengths are 2.47 Å. Both Co–B bond lengths are 2.03 Å. In the second Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Gd, two equivalent Ni, and two equivalent B atoms. Both Co–Ni bond lengths are 2.46 Å. Both Co–B bond lengths are 2.03 Å. In the third Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Gd, two equivalent Ni, and two equivalent B atoms. Both Co–Ni bond lengths are 2.46 Å. Both Co–B bond lengths are 2.01 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Gd, four Co, and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.48 Å. In the second Ni site, Ni is bonded in a distorted L-shaped geometry to two equivalent Gd, two equivalent Ni, and two equivalent B atoms. Both Ni–B bond lengths are 2.05 Å. B is bonded in a 6-coordinate geometry to three equivalent Gd, four Co, and two equivalent Ni 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: 1655405
• Report Number(s): mp-1225353
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
B-Co-Gd-Ni
GdCo2Ni2B
crystal structure