Materials Data on CuTeSeBr by Materials Project
CuTeSeBr crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cu3+ is bonded to one Te1-, one Se1-, and two equivalent Br1- atoms to form corner-sharing CuTeSeBr2 tetrahedra. The Cu–Te bond length is 2.53 Å. The Cu–Se bond length is 2.41 Å. There are one shorter (2.46 Å) and one longer (2.53 Å) Cu–Br bond lengths. Te1- is bonded in a 5-coordinate geometry to one Cu3+, two equivalent Se1-, and two equivalent Br1- atoms. There are one shorter (2.56 Å) and one longer (2.69 Å) Te–Se bond lengths. There are one shorter (3.39 Å) and one longer (3.41 Å) Te–Br bond lengths. Se1- is bonded in a distorted trigonal non-coplanar geometry to one Cu3+ and two equivalent Te1- atoms. Br1- is bonded in a distorted water-like geometry to two equivalent Cu3+ and two equivalent Te1- atoms.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1676034
- Report Number(s):
- mp-1213194
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on CuTeSeI by Materials Project
Materials Data on CuTe2Br by Materials Project
Materials Data on CuTeSeCl by Materials Project
Dataset
·
Sat May 09 00:00:00 EDT 2020
·
OSTI ID:1651635
Materials Data on CuTe2Br by Materials Project
Dataset
·
Tue Jul 14 00:00:00 EDT 2020
·
OSTI ID:1205365
Materials Data on CuTeSeCl by Materials Project
Dataset
·
Sun May 03 00:00:00 EDT 2020
·
OSTI ID:1716243