Materials Data on Ca2Bi by Materials Project
Ca2Bi crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded to five equivalent Bi atoms to form a mixture of distorted edge and corner-sharing CaBi5 square pyramids. There are one shorter (3.22 Å) and four longer (3.51 Å) Ca–Bi bond lengths. In the second Ca site, Ca is bonded in a distorted square co-planar geometry to four equivalent Bi atoms. All Ca–Bi bond lengths are 3.37 Å. Bi is bonded in a 9-coordinate geometry to nine Ca atoms.
36 MATERIALS SCIENCE↗