Materials Data on Cs3Ni by Materials Project
Cs3Ni is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 12-coordinate geometry to eight Cs and four equivalent Ni atoms. There are four shorter (4.42 Å) and four longer (4.55 Å) Cs–Cs bond lengths. All Cs–Ni bond lengths are 4.42 Å. In the second Cs site, Cs is bonded in a 8-coordinate geometry to eight equivalent Cs atoms. Ni is bonded in a 8-coordinate geometry to eight equivalent Cs atoms.
36 MATERIALS SCIENCE↗