Materials Data on ZrBrO by Materials Project
ZrOBr crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three ZrOBr sheets oriented in the (0, 0, 1) direction. Zr3+ is bonded in a 4-coordinate geometry to four equivalent O2- and three equivalent Br1- atoms. All Zr–O bond lengths are 2.19 Å. All Zr–Br bond lengths are 2.89 Å. O2- is bonded to four equivalent Zr3+ atoms to form a mixture of edge and corner-sharing OZr4 trigonal pyramids. Br1- is bonded in a 3-coordinate geometry to three equivalent Zr3+ atoms.
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