Materials Data on Zr2Sb3Pd by Materials Project
Zr2PdSb3 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Zr+3.50+ is bonded in a 7-coordinate geometry to seven Sb3- atoms. There are a spread of Zr–Sb bond distances ranging from 3.00–3.11 Å. Pd2+ is bonded in a square co-planar geometry to four equivalent Sb3- atoms. All Pd–Sb bond lengths are 2.80 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 5-coordinate geometry to five equivalent Zr+3.50+ atoms. In the second Sb3- site, Sb3- is bonded to four equivalent Zr+3.50+ and four equivalent Pd2+ atoms to form a mixture of distorted face and corner-sharing SbZr4Pd4 hexagonal bipyramids.
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