Materials Data on MnAs by Materials Project

doi:10.17188/1325579

Title: Materials Data on MnAs by Materials Project

Dataset
Other Related Research

Abstract

MnAs is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mn3+ is bonded to four equivalent As3- atoms to form corner-sharing MnAs4 tetrahedra. All Mn–As bond lengths are 2.46 Å. As3- is bonded to four equivalent Mn3+ atoms to form corner-sharing AsMn4 tetrahedra.

Publication Date:: 2020-07-15

Other Number(s):: mp-1009131

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; As-Mn; MnAs; crystal structure

OSTI Identifier:: 1325579

DOI:: https://doi.org/10.17188/1325579

Citation Formats


                    Materials Data on MnAs by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1325579.

Copy to clipboard


                    Materials Data on MnAs by Materials Project.  United States.  doi:https://doi.org/10.17188/1325579

Copy to clipboard


                    2020.  
"Materials Data on MnAs by Materials Project".  United States.  doi:https://doi.org/10.17188/1325579.  https://www.osti.gov/servlets/purl/1325579. Pub date:Wed Jul 15 04:00:00 UTC 2020

Copy to clipboard


                    
@article{osti_1325579,

  title        = {Materials Data on MnAs by Materials Project},

  
  abstractNote = {MnAs is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mn3+ is bonded to four equivalent As3- atoms to form corner-sharing MnAs4 tetrahedra. All Mn–As bond lengths are 2.46 Å. As3- is bonded to four equivalent Mn3+ atoms to form corner-sharing AsMn4 tetrahedra.},

  doi          = {10.17188/1325579},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1325579

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on MnAs by Materials Project

Dataset

MnAs is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn3+ is bonded to six equivalent As3- atoms to form a mixture of distorted edge, face, and corner-sharing MnAs6 octahedra. The corner-sharing octahedra tilt angles range from 44–59°. There are a spread of Mn–As bond distances ranging from 2.36–2.59 Å. As3- is bonded in a 6-coordinate geometry to six equivalent Mn3+ atoms.
Materials Data on MnAs by Materials Project

Dataset

MnAs is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn3+ is bonded to six equivalent As3- atoms to form a mixture of corner, edge, and face-sharing MnAs6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Mn–As bond lengths are 2.52 Å. As3- is bonded in a 6-coordinate geometry to six equivalent Mn3+ atoms.
Materials Data on Li23(MnAs)20 by Materials Project

Dataset

Li23(MnAs)20 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. there are twelve inequivalent Li sites. In the first Li site, Li is bonded in a 6-coordinate geometry to two Mn and four As atoms. There are one shorter (2.72 Å) and one longer (2.75 Å) Li–Mn bond lengths. There are two shorter (2.63 Å) and two longer (2.68 Å) Li–As bond lengths. In the second Li site, Li is bonded in a 6-coordinate geometry to two Mn and four As atoms. Both Li–Mn bond lengths are 2.77 Å. There are two shorter (2.68 Å) and two longermore »« less
Materials Data on Sr(MnAs)2 by Materials Project

Dataset

SrMn2As2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent As3- atoms to form SrAs6 octahedra that share corners with twelve equivalent MnAs4 tetrahedra, edges with six equivalent SrAs6 octahedra, and edges with six equivalent MnAs4 tetrahedra. All Sr–As bond lengths are 3.14 Å. Mn2+ is bonded to four equivalent As3- atoms to form MnAs4 tetrahedra that share corners with six equivalent SrAs6 octahedra, corners with six equivalent MnAs4 tetrahedra, edges with three equivalent SrAs6 octahedra, and edges with three equivalent MnAs4 tetrahedra. The corner-sharing octahedra tilt angles range from 23–49°. Theremore »« less
Materials Data on Eu(MnAs)2 by Materials Project

Dataset

EuMn2As2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Eu2+ is bonded to six equivalent As3- atoms to form EuAs6 octahedra that share corners with twelve equivalent MnAs4 tetrahedra, edges with six equivalent EuAs6 octahedra, and edges with six equivalent MnAs4 tetrahedra. All Eu–As bond lengths are 3.04 Å. Mn2+ is bonded to four equivalent As3- atoms to form MnAs4 tetrahedra that share corners with six equivalent EuAs6 octahedra, corners with six equivalent MnAs4 tetrahedra, edges with three equivalent EuAs6 octahedra, and edges with three equivalent MnAs4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–50°. Theremore »« less

Similar Records