Materials Data on Mg3Bi2 by Materials Project

doi:10.17188/1707878

Title: Materials Data on Mg3Bi2 by Materials Project

Dataset
Other Related Research

Abstract

Mg3Bi2 crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Mg is bonded to four Bi atoms to form a mixture of corner and edge-sharing MgBi4 tetrahedra. There are a spread of Mg–Bi bond distances ranging from 2.92–3.02 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 6-coordinate geometry to six equivalent Mg atoms. In the second Bi site, Bi is bonded in a 6-coordinate geometry to six equivalent Mg atoms.

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-1196079

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; Bi-Mg; Mg3Bi2; crystal structure

OSTI Identifier:: 1707878

DOI:: https://doi.org/10.17188/1707878

Citation Formats


                    Materials Data on Mg3Bi2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1707878.

Copy to clipboard


                    Materials Data on Mg3Bi2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1707878

Copy to clipboard


                    2020.  
"Materials Data on Mg3Bi2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1707878.  https://www.osti.gov/servlets/purl/1707878. Pub date:Wed Apr 29 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1707878,

  title        = {Materials Data on Mg3Bi2 by Materials Project},

  
  abstractNote = {Mg3Bi2 crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Mg is bonded to four Bi atoms to form a mixture of corner and edge-sharing MgBi4 tetrahedra. There are a spread of Mg–Bi bond distances ranging from 2.92–3.02 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 6-coordinate geometry to six equivalent Mg atoms. In the second Bi site, Bi is bonded in a 6-coordinate geometry to six equivalent Mg atoms.},

  doi          = {10.17188/1707878},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1707878

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Mg3Bi2 by Materials Project

Dataset

Mg3Bi2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four equivalent Bi atoms to form distorted MgBi4 tetrahedra that share corners with six equivalent MgBi6 octahedra, corners with six equivalent MgBi4 tetrahedra, edges with three equivalent MgBi6 octahedra, and edges with three equivalent MgBi4 tetrahedra. The corner-sharing octahedra tilt angles range from 9–59°. There are three shorter (2.95 Å) and one longer (3.04 Å) Mg–Bi bond lengths. In the second Mg site, Mg is bonded to six equivalent Bi atoms to formmore »« less
Materials Data on Mg3Bi2(PO6)2 by Materials Project

Dataset

Mg3Bi2(PO6)2 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are three inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to five O2- atoms to form MgO5 square pyramids that share corners with three PO4 tetrahedra and an edgeedge with one MgO5 trigonal bipyramid. There are a spread of Mg–O bond distances ranging from 1.97–2.07 Å. In the second Mg2+ site, Mg2+ is bonded to five O2- atoms to form distorted MgO5 trigonal bipyramids that share corners with two equivalent MgO5 square pyramids, corners with three PO4 tetrahedra, and an edgeedge with one MgO5more »« less
Materials Data on Mg3Bi2(AsO6)2 by Materials Project

Dataset

Mg3Bi2(AsO6)2 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are three inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to five O2- atoms to form MgO5 square pyramids that share corners with three AsO4 tetrahedra and an edgeedge with one MgO5 trigonal bipyramid. There are a spread of Mg–O bond distances ranging from 1.97–2.06 Å. In the second Mg2+ site, Mg2+ is bonded to five O2- atoms to form distorted MgO5 square pyramids that share corners with three AsO4 tetrahedra and corners with two equivalent MgO5 trigonal bipyramids. There are a spread ofmore »« less
Materials Data on Mg3Bi2(PO6)2 by Materials Project

Dataset

Mg3Bi2(PO6)2 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are six inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to five O2- atoms to form MgO5 square pyramids that share corners with three PO4 tetrahedra and an edgeedge with one MgO5 trigonal bipyramid. There are a spread of Mg–O bond distances ranging from 1.95–2.06 Å. In the second Mg2+ site, Mg2+ is bonded to five O2- atoms to form MgO5 square pyramids that share corners with three PO4 tetrahedra and an edgeedge with one MgO5 trigonal bipyramid. There are a spread of Mg–Omore »« less
Materials Data on Be by Materials Project

Dataset

Be is beta Np structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Be is bonded in a 11-coordinate geometry to eleven equivalent Be atoms. There are a spread of Be–Be bond distances ranging from 2.14–2.28 Å.

Similar Records