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Materials Data on ZrSeO by Materials Project

ZrSeO is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Zr4+ is bonded in a 9-coordinate geometry to five equivalent Se2- and four equivalent O2- atoms. There are four shorter (2.90 Å) and one longer (2.97 Å) Zr–Se bond lengths. All Zr–O bond lengths are 2.23 Å. Se2- is bonded in a 5-coordinate geometry to five equivalent Zr4+ atoms. O2- is bonded to four equivalent Zr4+ atoms to form a mixture of edge and corner-sharing OZr4 tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on ZrSeO by Materials Project

ZrSeO crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Zr4+ is bonded in a 3-coordinate geometry to four equivalent Se2- and three equivalent O2- atoms. There are one shorter (2.68 Å) and three longer (2.87 Å) Zr–Se bond lengths. All Zr–O bond lengths are 2.13 Å. Se2- is bonded in a 4-coordinate geometry to four equivalent Zr4+ and seven equivalent O2- atoms. There are a spread of Se–O bond distances ranging from 3.11–3.19 Å. O2- is bonded in a trigonal planar geometry to three equivalent Zr4+ and seven equivalent Se2- atoms.

36 MATERIALS SCIENCE↗