Materials Data on Dy3(Ga2Cu)2 by Materials Project

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

DOI:https://doi.org/10.17188/1727676· OSTI ID:1727676

Dy3(CuGa2)2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are six inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to five Cu and seven Ga atoms. There are a spread of Dy–Cu bond distances ranging from 2.99–3.21 Å. There are a spread of Dy–Ga bond distances ranging from 3.00–3.24 Å. In the second Dy site, Dy is bonded in a 12-coordinate geometry to four Cu and eight Ga atoms. There are a spread of Dy–Cu bond distances ranging from 2.98–3.24 Å. There are a spread of Dy–Ga bond distances ranging from 3.02–3.20 Å. In the third Dy site, Dy is bonded in a 12-coordinate geometry to three equivalent Cu and nine Ga atoms. There are one shorter (3.12 Å) and two longer (3.22 Å) Dy–Cu bond lengths. There are a spread of Dy–Ga bond distances ranging from 3.00–3.21 Å. In the fourth Dy site, Dy is bonded in a 12-coordinate geometry to six Cu and six Ga atoms. There are a spread of Dy–Cu bond distances ranging from 3.00–3.20 Å. There are a spread of Dy–Ga bond distances ranging from 3.04–3.23 Å. In the fifth Dy site, Dy is bonded in a 12-coordinate geometry to three Cu and nine Ga atoms. There are two shorter (3.01 Å) and one longer (3.04 Å) Dy–Cu bond lengths. There are a spread of Dy–Ga bond distances ranging from 3.04–3.22 Å. In the sixth Dy site, Dy is bonded in a 12-coordinate geometry to three Cu and nine Ga atoms. There are two shorter (3.01 Å) and one longer (3.04 Å) Dy–Cu bond lengths. There are a spread of Dy–Ga bond distances ranging from 3.04–3.23 Å. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded in a 10-coordinate geometry to six Dy, one Cu, and three Ga atoms. The Cu–Cu bond length is 2.60 Å. There are two shorter (2.52 Å) and one longer (2.79 Å) Cu–Ga bond lengths. In the second Cu site, Cu is bonded in a 10-coordinate geometry to six Dy and four Ga atoms. There are a spread of Cu–Ga bond distances ranging from 2.51–2.79 Å. In the third Cu site, Cu is bonded in a 10-coordinate geometry to six Dy and four Ga atoms. There are a spread of Cu–Ga bond distances ranging from 2.52–2.80 Å. In the fourth Cu site, Cu is bonded in a 10-coordinate geometry to six Dy, one Cu, and three Ga atoms. There are two shorter (2.53 Å) and one longer (2.82 Å) Cu–Ga bond lengths. There are eight inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Dy, one Cu, and three Ga atoms. There are two shorter (2.59 Å) and one longer (2.85 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Dy, one Cu, and three Ga atoms. There are two shorter (2.59 Å) and one longer (2.85 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Dy, three Cu, and one Ga atom. The Ga–Ga bond length is 2.55 Å. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to six Dy, two equivalent Cu, and two Ga atoms. The Ga–Ga bond length is 2.60 Å. In the fifth Ga site, Ga is bonded in a 10-coordinate geometry to six Dy, two equivalent Cu, and two Ga atoms. The Ga–Ga bond length is 2.56 Å. In the sixth Ga site, Ga is bonded in a 10-coordinate geometry to six Dy, three Cu, and one Ga atom. In the seventh Ga site, Ga is bonded in a 10-coordinate geometry to six Dy, one Cu, and three Ga atoms. In the eighth Ga site, Ga is bonded in a 10-coordinate geometry to six Dy, one Cu, and three Ga 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: 1727676
• Report Number(s): mp-1225660
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Cu-Dy-Ga
Dy3(Ga2Cu)2
crystal structure