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Materials Data on ZrBr by Materials Project

ZrBr crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of six ZrBr sheets oriented in the (0, 0, 1) direction. Zr is bonded in a 3-coordinate geometry to three equivalent Br atoms. All Zr–Br bond lengths are 2.79 Å. Br is bonded in a 3-coordinate geometry to three equivalent Zr atoms.

36 MATERIALS SCIENCE↗

Materials Data on ZrBr by Materials Project

ZrBr crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two ZrBr sheets oriented in the (0, 0, 1) direction. Zr is bonded in a 3-coordinate geometry to three equivalent Br atoms. There are one shorter (2.79 Å) and two longer (2.80 Å) Zr–Br bond lengths. Br is bonded in a 3-coordinate geometry to three equivalent Zr atoms.

36 MATERIALS SCIENCE↗

Materials Data on ZrBr by Materials Project

ZrBr crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two ZrBr sheets oriented in the (0, 0, 1) direction. Zr is bonded in a 3-coordinate geometry to three equivalent Br atoms. All Zr–Br bond lengths are 2.79 Å. Br is bonded in a 3-coordinate geometry to three equivalent Zr atoms.

36 MATERIALS SCIENCE↗

Materials Data on Zr4Br4O by Materials Project

(ZrBr)2Zr2OBr2 crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three Zr2OBr2 sheets oriented in the (0, 0, 1) direction and six ZrBr sheets oriented in the (0, 0, 1) direction. In each Zr2OBr2 sheet, there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 1-coordinate geometry to one O and three equivalent Br atoms. The Zr–O bond length is 2.15 Å. All Zr–Br bond lengths are 2.82 Å. In the second Zr site, Zr is bonded in a distorted trigonal planar geometry to three equivalent O and three equivalent Br atoms. All Zr–O bond lengths are 2.11 Å. All Zr–Br bond lengths are 2.87 Å. O is bonded to four Zr atoms to form corner-sharing OZr4 trigonal pyramids. There are two inequivalent Br sites. In the first Br site, Br is bonded in a 3-coordinate geometry to three equivalent Zr atoms. In the second Br site, Br is bonded in a 3-coordinate geometry to three equivalent Zr atoms. In each ZrBr sheet, Zr is bonded in a 3-coordinate geometry to three equivalent Br atoms. All Zr–Br bond lengths are 2.80 Å. Br is bonded in a 3-coordinate geometry to three equivalent Zr atoms.

36 MATERIALS SCIENCE↗