Materials Data on ZrSb3 by Materials Project
ZrSb3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr3+ is bonded to twelve equivalent Sb1- atoms to form a mixture of corner and face-sharing ZrSb12 cuboctahedra. There are six shorter (3.24 Å) and six longer (3.30 Å) Zr–Sb bond lengths. Sb1- is bonded in a 4-coordinate geometry to four equivalent Zr3+ atoms.
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