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Title: Materials Data on Mg2Bi3O8 by Materials Project

Abstract

Mg2Bi3O8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.12–2.57 Å. There are two inequivalent Bi4+ sites. In the first Bi4+ site, Bi4+ is bonded to six O2- atoms to form edge-sharing BiO6 octahedra. There are four shorter (2.37 Å) and two longer (2.44 Å) Bi–O bond lengths. In the second Bi4+ site, Bi4+ is bonded to six O2- atoms to form edge-sharing BiO6 octahedra. There are a spread of Bi–O bond distances ranging from 2.18–2.28 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one Mg2+ and two equivalent Bi4+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Mg2+ and three Bi4+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Mg2+ and two Bi4+ atoms.

Authors:
Publication Date:
Other Number(s):
mvc-13890
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; Mg2Bi3O8; Bi-Mg-O
OSTI Identifier:
1318991
DOI:
https://doi.org/10.17188/1318991

Citation Formats

The Materials Project. Materials Data on Mg2Bi3O8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1318991.
The Materials Project. Materials Data on Mg2Bi3O8 by Materials Project. United States. doi:https://doi.org/10.17188/1318991
The Materials Project. 2020. "Materials Data on Mg2Bi3O8 by Materials Project". United States. doi:https://doi.org/10.17188/1318991. https://www.osti.gov/servlets/purl/1318991. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1318991,
title = {Materials Data on Mg2Bi3O8 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2Bi3O8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.12–2.57 Å. There are two inequivalent Bi4+ sites. In the first Bi4+ site, Bi4+ is bonded to six O2- atoms to form edge-sharing BiO6 octahedra. There are four shorter (2.37 Å) and two longer (2.44 Å) Bi–O bond lengths. In the second Bi4+ site, Bi4+ is bonded to six O2- atoms to form edge-sharing BiO6 octahedra. There are a spread of Bi–O bond distances ranging from 2.18–2.28 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one Mg2+ and two equivalent Bi4+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Mg2+ and three Bi4+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Mg2+ and two Bi4+ atoms.},
doi = {10.17188/1318991},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}