Materials Data on NaTi3 by Materials Project
NaTi3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na is bonded to twelve equivalent Ti atoms to form a mixture of face and corner-sharing NaTi12 cuboctahedra. There are six shorter (3.06 Å) and six longer (3.07 Å) Na–Ti bond lengths. Ti is bonded in a 12-coordinate geometry to four equivalent Na and eight equivalent Ti atoms. There are a spread of Ti–Ti bond distances ranging from 2.83–3.30 Å.
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