Materials Data on Na2TiCl4 by Materials Project
Abstract
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.
- Authors:
- Publication Date:
- Other Number(s):
- mp-29392
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Na2TiCl4; Cl-Na-Ti
- OSTI Identifier:
- 1203767
- DOI:
- https://doi.org/10.17188/1203767
Citation Formats
The Materials Project. Materials Data on Na2TiCl4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1203767.
The Materials Project. Materials Data on Na2TiCl4 by Materials Project. United States. doi:https://doi.org/10.17188/1203767
The Materials Project. 2020.
"Materials Data on Na2TiCl4 by Materials Project". United States. doi:https://doi.org/10.17188/1203767. https://www.osti.gov/servlets/purl/1203767. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1203767,
title = {Materials Data on Na2TiCl4 by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1203767},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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