Materials Data on LiCaBi by Materials Project
LiCaBi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded to four equivalent Bi atoms to form a mixture of distorted edge and corner-sharing LiBi4 tetrahedra. There are a spread of Li–Bi bond distances ranging from 2.87–3.00 Å. Ca is bonded in a 5-coordinate geometry to five equivalent Bi atoms. There are a spread of Ca–Bi bond distances ranging from 3.27–3.38 Å. Bi is bonded in a 9-coordinate geometry to four equivalent Li and five equivalent Ca atoms.
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