Materials Data on TeOsCl2 by Materials Project
OsTeCl2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Os4+ is bonded in a body-centered cubic geometry to four equivalent Te2- and four equivalent Cl1- atoms. All Os–Te bond lengths are 2.89 Å. All Os–Cl bond lengths are 2.89 Å. Te2- is bonded in a 4-coordinate geometry to four equivalent Os4+ and ten Cl1- atoms. There are four shorter (2.89 Å) and six longer (3.33 Å) Te–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four equivalent Te2- atoms to form distorted ClTe4 tetrahedra that share corners with twenty-four ClTe4 tetrahedra and faces with four equivalent ClTe6Os4 tetrahedra. In the second Cl1- site, Cl1- is bonded to four equivalent Os4+ and six equivalent Te2- atoms to form a mixture of distorted face and corner-sharing ClTe6Os4 tetrahedra.
- 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:
- 1279124
- Report Number(s):
- mp-631398
- Country of Publication:
- United States
- Language:
- English
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