Materials Data on TiTeAs by Materials Project
TiAsTe crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ti4+ is bonded in a 8-coordinate geometry to four equivalent As2- and four equivalent Te2- atoms. All Ti–As bond lengths are 2.71 Å. There are two shorter (2.86 Å) and two longer (2.90 Å) Ti–Te bond lengths. As2- is bonded in a 6-coordinate geometry to four equivalent Ti4+ and two equivalent As2- atoms. There are one shorter (2.64 Å) and one longer (2.66 Å) As–As bond lengths. Te2- is bonded to four equivalent Ti4+ atoms to form a mixture of distorted edge and corner-sharing TeTi4 tetrahedra.
- 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:
- 1187575
- Report Number(s):
- mp-11113
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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