Materials Data on KCaBi by Materials Project
KCaBi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. K is bonded in a 1-coordinate geometry to five equivalent Bi atoms. There are one shorter (3.63 Å) and four longer (4.06 Å) K–Bi bond lengths. Ca is bonded to four equivalent Bi atoms to form a mixture of edge and corner-sharing CaBi4 tetrahedra. All Ca–Bi bond lengths are 3.25 Å. Bi is bonded in a 9-coordinate geometry to five equivalent K and four equivalent Ca atoms.
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