U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Bi2PO6 by Materials Project
Abstract
Bi2PO6 crystallizes in the orthorhombic Aea2 space group. The structure is three-dimensional. Bi+3.50+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.34–2.64 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.55 Å) and two longer (1.56 Å) P–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent Bi+3.50+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Bi+3.50+ and one P5+ atom. In the third O2- site, O2- is bonded to four equivalent Bi+3.50+ atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-756074
- 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-O-P; Bi2PO6; crystal structure
- OSTI Identifier:
- 1290338
- DOI:
- https://doi.org/10.17188/1290338
Citation Formats
Materials Data on Bi2PO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1290338.
Materials Data on Bi2PO6 by Materials Project. United States. doi:https://doi.org/10.17188/1290338
2020.
"Materials Data on Bi2PO6 by Materials Project". United States. doi:https://doi.org/10.17188/1290338. https://www.osti.gov/servlets/purl/1290338. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1290338,
title = {Materials Data on Bi2PO6 by Materials Project},
abstractNote = {Bi2PO6 crystallizes in the orthorhombic Aea2 space group. The structure is three-dimensional. Bi+3.50+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.34–2.64 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.55 Å) and two longer (1.56 Å) P–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent Bi+3.50+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Bi+3.50+ and one P5+ atom. In the third O2- site, O2- is bonded to four equivalent Bi+3.50+ atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra.},
doi = {10.17188/1290338},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}