NaTi3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Na(1) is bonded to twelve Ti(1,1,1) atoms to form a mixture of corner and face-sharing NaTi12 cuboctahedra. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 12-coordinate geometry to four equivalent Na(1) and eight Ti(1,1) atoms. In the second Ti site, Ti(1) is bonded in a 12-coordinate geometry to four equivalent Na(1) and eight Ti(1,1,1) atoms. In the third Ti site, Ti(1) is bonded in a 12-coordinate geometry to four equivalent Na(1) and eight Ti(1,1) atoms.
NaTi3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Na(1) is bonded to twelve Ti(1,1,1) atoms to form a mixture of corner and face-sharing NaTi12 cuboctahedra. There are six shorter (3.06 Å) and six longer (3.07 Å) Na(1)-Ti(1,1,1) bond lengths. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 12-coordinate geometry to four equivalent Na(1) and eight Ti(1,1) atoms. There are a spread of Ti(1)-Ti(1,1) bond distances ranging from 2.84-3.29 Å. In the second Ti site, Ti(1) is bonded in a 12-coordinate geometry to four equivalent Na(1) and eight Ti(1,1,1) atoms. All Ti(1)-Ti(1,1) bond lengths are 2.90 Å. In the third Ti site, Ti(1) is bonded in a 12-coordinate geometry to four equivalent Na(1) and eight Ti(1,1) atoms. Both Ti(1)-Ti(1) bond lengths are 2.90 Å.