Materials Data on MgBiAsO6 by Materials Project
Abstract
MgBiAsO6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Mg2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Mg–O bond distances ranging from 2.02–2.37 Å. Bi5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are two shorter (2.23 Å) and three longer (2.34 Å) Bi–O bond lengths. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.67–1.75 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mg2+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Bi5+ and one As5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Mg2+ and two equivalent Bi5+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mg2+ and one As5+ atom.
- Authors:
- Publication Date:
- 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:
- 1318359
- Report Number(s):
- mvc-11931
- 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; MgBiAsO6; As-Bi-Mg-O
Citation Formats
The Materials Project. Materials Data on MgBiAsO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1318359.
The Materials Project. Materials Data on MgBiAsO6 by Materials Project. United States. https://doi.org/10.17188/1318359
The Materials Project. 2020.
"Materials Data on MgBiAsO6 by Materials Project". United States. https://doi.org/10.17188/1318359. https://www.osti.gov/servlets/purl/1318359.
@article{osti_1318359,
title = {Materials Data on MgBiAsO6 by Materials Project},
author = {The Materials Project},
abstractNote = {MgBiAsO6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Mg2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Mg–O bond distances ranging from 2.02–2.37 Å. Bi5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are two shorter (2.23 Å) and three longer (2.34 Å) Bi–O bond lengths. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.67–1.75 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mg2+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Bi5+ and one As5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Mg2+ and two equivalent Bi5+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mg2+ and one As5+ atom.},
doi = {10.17188/1318359},
url = {https://www.osti.gov/biblio/1318359},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}