Materials Data on Ca4Sb2S by Materials Project
Ca4Sb2S crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ca2+ is bonded in a 6-coordinate geometry to four equivalent Sb3- and two equivalent S2- atoms. There are a spread of Ca–Sb bond distances ranging from 3.07–3.43 Å. There are one shorter (2.95 Å) and one longer (3.47 Å) Ca–S bond lengths. Sb3- is bonded in a 8-coordinate geometry to eight equivalent Ca2+ atoms. S2- is bonded in a 4-coordinate geometry to eight equivalent Ca2+ atoms.
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