Materials Data on MnIn2W by Materials Project

Dataset · Thu Jul 23 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1279327· OSTI ID:1279327

WMnIn2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. W is bonded in a distorted body-centered cubic geometry to four equivalent Mn and ten In atoms. There are three shorter (2.86 Å) and one longer (2.88 Å) W–Mn bond lengths. There are a spread of W–In bond distances ranging from 2.86–3.33 Å. Mn is bonded in a distorted body-centered cubic geometry to four equivalent W and four equivalent In atoms. There are two shorter (2.86 Å) and two longer (2.87 Å) Mn–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded to four equivalent W and four equivalent In atoms to form distorted edge-sharing InIn4W4 tetrahedra. There are two shorter (2.86 Å) and two longer (2.87 Å) In–In bond lengths. In the second In site, In is bonded in a 4-coordinate geometry to six equivalent W, four equivalent Mn, and four equivalent In 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: 1279327
• Report Number(s): mp-632623
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
In-Mn-W
MnIn2W
crystal structure