Materials Data on Bi4O5F2 by Materials Project
Bi4O5F2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to two equivalent O2- and two F1- atoms. Both Bi–O bond lengths are 2.18 Å. There are one shorter (2.26 Å) and one longer (2.49 Å) Bi–F bond lengths. In the second Bi3+ site, Bi3+ is bonded in a 3-coordinate geometry to three O2- atoms. All Bi–O bond lengths are 2.18 Å. In the third Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to five O2- and two F1- atoms. There are a spread of Bi–O bond distances ranging from 2.18–2.99 Å. There are one shorter (2.46 Å) and one longer (2.83 Å) Bi–F bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to three Bi3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three Bi3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Bi3+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to three Bi3+ atoms. In the second F1- site, F1- is bonded in a distorted T-shaped geometry to three Bi3+ 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:
- 1291510
- Report Number(s):
- mp-759848
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Bi19(O9F)3 by Materials Project
Materials Data on Bi5O7F by Materials Project