Materials Data on TlSbSe2 by Materials Project
TlSbSe2 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. Tl1+ is bonded to two equivalent Sb3+ and four equivalent Se2- atoms to form a mixture of edge and corner-sharing TlSb2Se4 octahedra. The corner-sharing octahedra tilt angles range from 2–16°. Both Tl–Sb bond lengths are 3.01 Å. There are a spread of Tl–Se bond distances ranging from 2.99–3.17 Å. Sb3+ is bonded in a 6-coordinate geometry to two equivalent Tl1+ and four equivalent Se2- atoms. There are a spread of Sb–Se bond distances ranging from 2.77–3.43 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to four equivalent Tl1+ atoms. In the second Se2- site, Se2- is bonded in a distorted water-like geometry to four equivalent Sb3+ 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:
- 1207401
- Report Number(s):
- mp-37710
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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Materials Data on TlSbSe2 by Materials Project
Materials Data on TlSbSe2 by Materials Project