Materials Data on Nd4Mg3Co2 by Materials Project

Dataset · Wed Jul 15 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1273835· OSTI ID:1273835

Nd4Mg3Co2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to one Mg, eight Nd, and one Co atom. The Mg–Mg bond length is 3.16 Å. There are a spread of Mg–Nd bond distances ranging from 3.36–3.58 Å. The Mg–Co bond length is 3.14 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to eight Nd and two equivalent Co atoms. There are four shorter (3.26 Å) and four longer (3.48 Å) Mg–Nd bond lengths. Both Mg–Co bond lengths are 3.09 Å. There are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 4-coordinate geometry to six Mg and four equivalent Co atoms. There are two shorter (2.93 Å) and two longer (3.00 Å) Nd–Co bond lengths. In the second Nd site, Nd is bonded in a distorted L-shaped geometry to six Mg and two equivalent Co atoms. Both Nd–Co bond lengths are 2.76 Å. Co is bonded in a 9-coordinate geometry to two Mg, six Nd, and one Co atom. The Co–Co bond length is 2.34 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: 1273835
• Report Number(s): mp-567369
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Co-Mg-Nd
Nd4Mg3Co2
crystal structure