Na8TiAs4 crystallizes in the cubic Fd-3m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1) and six equivalent As(1) atoms. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to four equivalent As(1) atoms. Ti(1) is bonded in a distorted body-centered cubic geometry to four equivalent Na(1) and four equivalent As(1) atoms. As(1) is bonded in a 10-coordinate geometry to three equivalent Na(1), six equivalent Na(2), and one Ti(1) atom.
Na8TiAs4 crystallizes in the cubic Fd-3m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1) and six equivalent As(1) atoms. Both Na(1)-Ti(1) bond lengths are 2.97 Å. All Na(1)-As(1) bond lengths are 3.18 Å. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to four equivalent As(1) atoms. There are two shorter (3.00 Å) and two longer (3.14 Å) Na(2)-As(1) bond lengths. Ti(1) is bonded in a distorted body-centered cubic geometry to four equivalent Na(1) and four equivalent As(1) atoms. All Ti(1)-As(1) bond lengths are 2.50 Å. As(1) is bonded in a 10-coordinate geometry to three equivalent Na(1), six equivalent Na(2), and one Ti(1) atom.