Materials Data on MgBi by Materials Project

doi:10.17188/1757528

Title: Materials Data on MgBi by Materials Project

Dataset
Other Related Research

Abstract

MgBi crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to six Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.09–3.51 Å. In the second Mg site, Mg is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.16–3.33 Å. In the third Mg site, Mg is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.20–3.36 Å. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded in a 7-coordinate geometry to seven Mg atoms. In the second Bi site, Bi is bonded in a 8-coordinate geometry to six Mg and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.38 Å. In the third Bi site, Bi is bonded in a 7-coordinate geometry to seven Mg atoms.

Authors:: The Materials Project

Publication Date:: Thu Sep 03 00:00:00 EDT 2020

Other Number(s):: mp-1038970

DOE Contract Number:: AC02-05CH11231; EDCBEE

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)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; MgBi; Bi-Mg

OSTI Identifier:: 1757528

DOI:: https://doi.org/10.17188/1757528

Citation Formats


                    The Materials Project. Materials Data on MgBi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1757528.

Copy to clipboard


                    The Materials Project. Materials Data on MgBi by Materials Project.  United States.  doi:https://doi.org/10.17188/1757528

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on MgBi by Materials Project".  United States.  doi:https://doi.org/10.17188/1757528.  https://www.osti.gov/servlets/purl/1757528. Pub date:Thu Sep 03 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1757528,

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

  author       = {The Materials Project},

  abstractNote = {MgBi crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to six Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.09–3.51 Å. In the second Mg site, Mg is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.16–3.33 Å. In the third Mg site, Mg is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.20–3.36 Å. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded in a 7-coordinate geometry to seven Mg atoms. In the second Bi site, Bi is bonded in a 8-coordinate geometry to six Mg and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.38 Å. In the third Bi site, Bi is bonded in a 7-coordinate geometry to seven Mg atoms.},

  doi          = {10.17188/1757528},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Sep 03 00:00:00 EDT 2020},

  month        = {Thu Sep 03 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1757528

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Ba(MgBi)2 by Materials Project

Dataset The Materials Project

Ba(MgBi)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ba is bonded to six equivalent Bi atoms to form BaBi6 octahedra that share corners with twelve equivalent MgBi4 tetrahedra, edges with six equivalent BaBi6 octahedra, and edges with six equivalent MgBi4 tetrahedra. All Ba–Bi bond lengths are 3.60 Å. Mg is bonded to four equivalent Bi atoms to form MgBi4 tetrahedra that share corners with six equivalent BaBi6 octahedra, corners with six equivalent MgBi4 tetrahedra, edges with three equivalent BaBi6 octahedra, and edges with three equivalent MgBi4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–52°. Allmore »« less
Materials Data on Ca(MgBi)2 by Materials Project

Dataset The Materials Project

CaMg2Bi2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ca is bonded to six equivalent Bi atoms to form CaBi6 octahedra that share corners with twelve equivalent MgBi4 tetrahedra, edges with six equivalent CaBi6 octahedra, and edges with six equivalent MgBi4 tetrahedra. All Ca–Bi bond lengths are 3.33 Å. Mg is bonded to four equivalent Bi atoms to form MgBi4 tetrahedra that share corners with six equivalent CaBi6 octahedra, corners with six equivalent MgBi4 tetrahedra, edges with three equivalent CaBi6 octahedra, and edges with three equivalent MgBi4 tetrahedra. The corner-sharing octahedra tilt angles range from 13–56°. Theremore »« less
Materials Data on Eu(MgBi)2 by Materials Project

Dataset The Materials Project

EuMg2Bi2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mg is bonded to four equivalent Bi atoms to form MgBi4 tetrahedra that share corners with six equivalent EuBi6 octahedra, corners with six equivalent MgBi4 tetrahedra, edges with three equivalent EuBi6 octahedra, and edges with three equivalent MgBi4 tetrahedra. The corner-sharing octahedra tilt angles range from 15–55°. There are three shorter (2.97 Å) and one longer (3.01 Å) Mg–Bi bond lengths. Eu is bonded to six equivalent Bi atoms to form EuBi6 octahedra that share corners with twelve equivalent MgBi4 tetrahedra, edges with six equivalent EuBi6 octahedra, andmore »« less
Materials Data on Sr(MgBi)2 by Materials Project

Dataset The Materials Project

Bi2Mg2Sr crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sr is bonded to six equivalent Bi atoms to form SrBi6 octahedra that share corners with twelve equivalent MgBi4 tetrahedra, edges with six equivalent SrBi6 octahedra, and edges with six equivalent MgBi4 tetrahedra. All Sr–Bi bond lengths are 3.47 Å. Mg is bonded to four equivalent Bi atoms to form MgBi4 tetrahedra that share corners with six equivalent SrBi6 octahedra, corners with six equivalent MgBi4 tetrahedra, edges with three equivalent SrBi6 octahedra, and edges with three equivalent MgBi4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–54°. Theremore »« less
Materials Data on MgBi by Materials Project

Dataset The Materials Project

MgBi crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.06–3.32 Å. In the second Mg site, Mg is bonded in a 6-coordinate geometry to six Bi atoms. There are a spread of Mg–Bi bond distances ranging from 3.03–3.29 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 6-coordinate geometry to six Mg atoms. In the second Bimore »« less

Similar Records