Materials Data on Dy2Mn12Ga5 by Materials Project

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

DOI:https://doi.org/10.17188/1682154· OSTI ID:1682154

Dy2Mn12Ga5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to eighteen Mn atoms. There are a spread of Dy–Mn bond distances ranging from 2.97–3.35 Å. In the second Dy site, Dy is bonded in a 8-coordinate geometry to twelve Mn and eight Ga atoms. There are a spread of Dy–Mn bond distances ranging from 3.06–3.45 Å. There are a spread of Dy–Ga bond distances ranging from 3.10–3.36 Å. There are five inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to two Dy, six Mn, and four Ga atoms. There are a spread of Mn–Mn bond distances ranging from 2.59–2.76 Å. There are two shorter (2.58 Å) and two longer (2.96 Å) Mn–Ga bond lengths. In the second Mn site, Mn is bonded in a 12-coordinate geometry to two Dy, six Mn, and four Ga atoms. There are a spread of Mn–Mn bond distances ranging from 2.57–2.79 Å. There are two shorter (2.60 Å) and two longer (2.93 Å) Mn–Ga bond lengths. In the third Mn site, Mn is bonded in a 12-coordinate geometry to two Dy, six Mn, and four Ga atoms. There are two shorter (2.65 Å) and two longer (2.68 Å) Mn–Mn bond lengths. There are two shorter (2.58 Å) and two longer (2.95 Å) Mn–Ga bond lengths. In the fourth Mn site, Mn is bonded in a 12-coordinate geometry to three Dy, six Mn, and three Ga atoms. There are one shorter (2.37 Å) and one longer (2.50 Å) Mn–Mn bond lengths. There are a spread of Mn–Ga bond distances ranging from 2.59–2.86 Å. In the fifth Mn site, Mn is bonded in a 12-coordinate geometry to three Dy, six Mn, and three Ga atoms. There are two shorter (2.60 Å) and one longer (2.90 Å) Mn–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to one Dy, nine Mn, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.49–2.71 Å. In the second Ga site, Ga is bonded to two equivalent Dy, eight Mn, and two equivalent Ga atoms to form a mixture of distorted face and corner-sharing GaDy2Mn8Ga2 cuboctahedra. In the third Ga site, Ga is bonded to two equivalent Dy, eight Mn, and two equivalent Ga atoms to form a mixture of distorted face and corner-sharing GaDy2Mn8Ga2 cuboctahedra.

• 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: 1682154
• Report Number(s): mp-1198406
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Dy-Ga-Mn
Dy2Mn12Ga5
crystal structure