Materials Data on Na2TiCl4 by Materials Project
Na2TiCl4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Na–Cl bond distances ranging from 2.79–3.02 Å. Ti2+ is bonded to six Cl1- atoms to form edge-sharing TiCl6 octahedra. There are two shorter (2.55 Å) and four longer (2.57 Å) Ti–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na1+ and two equivalent Ti2+ atoms. In the second Cl1- site, Cl1- is bonded to four equivalent Na1+ and one Ti2+ atom to form a mixture of distorted edge and corner-sharing ClNa4Ti trigonal bipyramids.
- 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:
- 1203767
- Report Number(s):
- mp-29392
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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