Materials Data on CuBiSCl2 by Materials Project
CuBiSCl2 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cu1+ is bonded to two equivalent S2- and four equivalent Cl1- atoms to form a mixture of corner and edge-sharing CuS2Cl4 octahedra. The corner-sharing octahedral tilt angles are 42°. Both Cu–S bond lengths are 2.28 Å. All Cu–Cl bond lengths are 2.85 Å. Bi3+ is bonded in a 8-coordinate geometry to two equivalent S2- and six equivalent Cl1- atoms. Both Bi–S bond lengths are 2.72 Å. There are two shorter (2.75 Å) and four longer (3.23 Å) Bi–Cl bond lengths. S2- is bonded to two equivalent Cu1+ and two equivalent Bi3+ atoms to form distorted corner-sharing SCu2Bi2 tetrahedra. Cl1- is bonded in a 5-coordinate geometry to two equivalent Cu1+ and three equivalent 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:
- 1267809
- Report Number(s):
- mp-554238
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Al2Cu2Bi2S3Cl8 by Materials Project
Materials Data on Bi4Cl2O5 by Materials Project