Materials Data on Cs2CuF4 by Materials Project
Cs2CuF4 is (La,Ba)CuO4 structured and crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. Cs1+ is bonded in a distorted q6 geometry to nine F1- atoms. There are a spread of Cs–F bond distances ranging from 3.01–3.15 Å. Cu2+ is bonded to six F1- atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Cu–F bond distances ranging from 1.94–2.19 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to five equivalent Cs1+ and one Cu2+ atom. In the second F1- site, F1- is bonded to four equivalent Cs1+ and two equivalent Cu2+ atoms to form a mixture of distorted face, edge, and corner-sharing FCs4Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°.
- 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:
- 1355361
- Report Number(s):
- mp-1025265
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on K2CuF4 by Materials Project
Materials Data on Ba5Cu4ClF17 by Materials Project