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Materials Data on CaSiPd by Materials Project

CaPdSi crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ca2+ is bonded in a 5-coordinate geometry to five equivalent Si4- atoms. There are a spread of Ca–Si bond distances ranging from 3.03–3.18 Å. Pd2+ is bonded in a distorted trigonal planar geometry to three equivalent Si4- atoms. There are a spread of Pd–Si bond distances ranging from 2.43–2.49 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Ca2+, three equivalent Pd2+, and one Si4- atom. The Si–Si bond length is 2.69 Å.

36 MATERIALS SCIENCE↗