U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg(BiO2)2 by Materials Project
Abstract
Bi2MgO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded to five O2- atoms to form MgO5 square pyramids that share corners with six equivalent BiO5 square pyramids, an edgeedge with one BiO5 square pyramid, and edges with two equivalent MgO5 square pyramids. There are a spread of Mg–O bond distances ranging from 2.09–2.23 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share corners with six equivalent MgO5 square pyramids, an edgeedge with one MgO5 square pyramid, and edges with two equivalent BiO5 square pyramids. There are a spread of Bi–O bond distances ranging from 2.16–2.65 Å. In the second Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.22–2.85 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to three equivalent Bi3+ atoms. In the second O2- site, O2- is bonded to one Mg2+ and three Bi3+ atoms to form distorted corner-sharing OMgBi3 tetrahedra. In the third O2- site, O2- ismore »
- Authors:
- Publication Date:
- Other Number(s):
- mvc-5754
- 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; Mg(BiO2)2; Bi-Mg-O
- OSTI Identifier:
- 1321515
- DOI:
- https://doi.org/10.17188/1321515
Citation Formats
The Materials Project. Materials Data on Mg(BiO2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1321515.
The Materials Project. Materials Data on Mg(BiO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1321515
The Materials Project. 2020.
"Materials Data on Mg(BiO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1321515. https://www.osti.gov/servlets/purl/1321515. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1321515,
title = {Materials Data on Mg(BiO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Bi2MgO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded to five O2- atoms to form MgO5 square pyramids that share corners with six equivalent BiO5 square pyramids, an edgeedge with one BiO5 square pyramid, and edges with two equivalent MgO5 square pyramids. There are a spread of Mg–O bond distances ranging from 2.09–2.23 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share corners with six equivalent MgO5 square pyramids, an edgeedge with one MgO5 square pyramid, and edges with two equivalent BiO5 square pyramids. There are a spread of Bi–O bond distances ranging from 2.16–2.65 Å. In the second Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.22–2.85 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to three equivalent Bi3+ atoms. In the second O2- site, O2- is bonded to one Mg2+ and three Bi3+ atoms to form distorted corner-sharing OMgBi3 tetrahedra. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Mg2+ and three Bi3+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mg2+ and three Bi3+ atoms.},
doi = {10.17188/1321515},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}