Materials Data on Ti6Si2B by Materials Project
Ti6Si2B crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 4-coordinate geometry to two equivalent B and two equivalent Si atoms. Both Ti–B bond lengths are 2.32 Å. Both Ti–Si bond lengths are 2.64 Å. In the second Ti site, Ti is bonded in a 5-coordinate geometry to one B and four equivalent Si atoms. The Ti–B bond length is 2.71 Å. All Ti–Si bond lengths are 2.66 Å. B is bonded in a 9-coordinate geometry to nine Ti atoms. Si is bonded in a 9-coordinate geometry to nine Ti atoms.
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