Materials Data on Mg3As2 by Materials Project

doi:10.17188/1195087

Title: Materials Data on Mg3As2 by Materials Project

Full Record
Other Related Research

Abstract

Mg3As2 is Spinel-derived structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Mg2+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing MgAs4 tetrahedra. There are a spread of Mg–As bond distances ranging from 2.63–2.74 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to six equivalent Mg2+ atoms to form a mixture of distorted edge and corner-sharing AsMg6 octahedra. The corner-sharing octahedra tilt angles range from 59–60°. In the second As3- site, As3- is bonded to six equivalent Mg2+ atoms to form a mixture of distorted edge and corner-sharing AsMg6 octahedra. The corner-sharing octahedral tilt angles are 60°.

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

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

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

Contributing Org.:: MIT; UC Berkeley; Duke; U Louvain

OSTI Identifier:: 1195087

Report Number(s):: mp-1990

DOE Contract Number:: AC02-05CH11231; EDCBEE

Resource Type:: Data

Resource Relation:: Related Information: https://materialsproject.org/citing

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; crystal structure; Mg3As2; As-Mg

Citation Formats


                    The Materials Project. Materials Data on Mg3As2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195087.

Copy to clipboard


                    The Materials Project. Materials Data on Mg3As2 by Materials Project.  United States.  https://doi.org/10.17188/1195087

Copy to clipboard


                    The Materials Project. 2020.  
        "Materials Data on Mg3As2 by Materials Project".  United States.  https://doi.org/10.17188/1195087.  https://www.osti.gov/servlets/purl/1195087.

Copy to clipboard


                    
@article{osti_1195087,

  title        = {Materials Data on Mg3As2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg3As2 is Spinel-derived structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Mg2+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing MgAs4 tetrahedra. There are a spread of Mg–As bond distances ranging from 2.63–2.74 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to six equivalent Mg2+ atoms to form a mixture of distorted edge and corner-sharing AsMg6 octahedra. The corner-sharing octahedra tilt angles range from 59–60°. In the second As3- site, As3- is bonded to six equivalent Mg2+ atoms to form a mixture of distorted edge and corner-sharing AsMg6 octahedra. The corner-sharing octahedral tilt angles are 60°.},

  doi          = {10.17188/1195087},

  url          = {https://www.osti.gov/biblio/1195087},
  journal      = {},
number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

https://doi.org/10.17188/1195087

Save / Share:

Export Metadata

Save to My Library

Similar records in OSTI.GOV collections:

Materials Data on Mg3Zn3As4 by Materials Project

Dataset

Mg3Zn3As4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to four As3- atoms to form MgAs4 tetrahedra that share corners with six ZnAs6 octahedra, corners with six MgAs4 tetrahedra, edges with three ZnAs6 octahedra, an edgeedge with one ZnAs4 tetrahedra, and edges with two equivalent MgAs4 tetrahedra. The corner-sharing octahedra tilt angles range from 7–61°. There are a spread of Mg–As bond distances ranging from 2.60–2.74 Å. In the second Mg2+ site, Mg2+ is bonded to four As3- atoms to form MgAs4 tetrahedramore »« less
https://doi.org/10.17188/1680364

View Dataset
Materials Data on Mg3As2 by Materials Project

Dataset

Mg3As2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to four equivalent As3- atoms to form MgAs4 tetrahedra that share corners with six equivalent MgAs6 octahedra, corners with six equivalent MgAs4 tetrahedra, edges with three equivalent MgAs6 octahedra, and edges with three equivalent MgAs4 tetrahedra. The corner-sharing octahedra tilt angles range from 13–58°. There are three shorter (2.63 Å) and one longer (2.78 Å) Mg–As bond lengths. In the second Mg2+ site, Mg2+ is bonded to six equivalent As3- atoms to form MgAs6more »« less
https://doi.org/10.17188/1307776

View Dataset
Materials Data on Li10Mg7Cl24 by Materials Project

Dataset

Li10Mg7Cl24 is Spinel-like structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are twenty inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six Cl1- atoms to form LiCl6 octahedra that share corners with three LiCl4 tetrahedra and edges with six MgCl6 octahedra. There are a spread of Li–Cl bond distances ranging from 2.53–2.64 Å. In the second Li1+ site, Li1+ is bonded to four Cl1- atoms to form LiCl4 tetrahedra that share corners with six LiCl6 octahedra and corners with six MgCl6 octahedra. The corner-sharing octahedra tilt angles range from 56–58°.more »« less
https://doi.org/10.17188/1263259

View Dataset
Materials Data on Mg2MnAs2 by Materials Project

Dataset

Mg2MnAs2 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six As3- atoms to form MgAs6 octahedra that share corners with six equivalent MgAs4 tetrahedra, corners with six equivalent MnAs4 tetrahedra, edges with six equivalent MgAs6 octahedra, edges with three equivalent MgAs4 tetrahedra, and edges with three equivalent MnAs4 tetrahedra. There are three shorter (2.90 Å) and three longer (2.91 Å) Mg–As bond lengths. In the second Mg2+ site, Mg2+ is bonded to four As3- atoms to form MgAs4 tetrahedra that share cornersmore »« less
https://doi.org/10.17188/1728935

View Dataset
Materials Data on Eu(MgAs)2 by Materials Project

Dataset

Eu(MgAs)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent As3- atoms to form MgAs4 tetrahedra that share corners with six equivalent EuAs6 octahedra, corners with six equivalent MgAs4 tetrahedra, edges with three equivalent EuAs6 octahedra, and edges with three equivalent MgAs4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–54°. There are three shorter (2.68 Å) and one longer (2.74 Å) Mg–As bond lengths. Eu2+ is bonded to six equivalent As3- atoms to form EuAs6 octahedra that share corners with twelve equivalent MgAs4 tetrahedra, edges with six equivalent EuAs6 octahedra, andmore »« less
https://doi.org/10.17188/1690877

View Dataset

Similar Records