Materials Data on CuTe2I by Materials Project
CuITe2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two CuITe2 ribbons oriented in the (0, 1, 0) direction. Cu3+ is bonded to two Te1- and two equivalent I1- atoms to form corner-sharing CuTe2I2 tetrahedra. There are one shorter (2.56 Å) and one longer (2.57 Å) Cu–Te bond lengths. There are one shorter (2.64 Å) and one longer (2.67 Å) Cu–I bond lengths. There are two inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 1-coordinate geometry to one Cu3+ atom. In the second Te1- site, Te1- is bonded in a 1-coordinate geometry to one Cu3+ atom. I1- is bonded in a distorted water-like geometry to two equivalent Cu3+ 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:
- 1205366
- Report Number(s):
- mp-31037
- 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 CuTe2Cl 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 CuTe2Cl by Materials Project
Dataset
·
Sun May 03 00:00:00 EDT 2020
·
OSTI ID:1205307