Materials Data on Bi2O5 by Materials Project
Bi2O5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Bi5+ sites. In the first Bi5+ site, Bi5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedra tilt angles range from 3–32°. There are a spread of Bi–O bond distances ranging from 2.06–2.24 Å. In the second Bi5+ site, Bi5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedra tilt angles range from 3–32°. There are a spread of Bi–O bond distances ranging from 2.06–2.24 Å. In the third Bi5+ site, Bi5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedra tilt angles range from 4–32°. There are a spread of Bi–O bond distances ranging from 2.06–2.24 Å. In the fourth Bi5+ site, Bi5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedra tilt angles range from 4–32°. There are a spread of Bi–O bond distances ranging from 2.06–2.24 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Bi5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Bi5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three Bi5+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three Bi5+ atoms. In the fifth O2- site, O2- is bonded in a linear geometry to two equivalent Bi5+ atoms. In the sixth O2- site, O2- is bonded in a linear geometry to two equivalent Bi5+ atoms. In the seventh O2- site, O2- is bonded in a linear geometry to two equivalent Bi5+ atoms. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to two Bi5+ atoms. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to two Bi5+ atoms. In the tenth O2- site, O2- is bonded in a linear geometry to two equivalent Bi5+ atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1321069
- Report Number(s):
- mvc-4554
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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