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Materials Data on HgBr3 by Materials Project

HgBr3 crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two HgBr3 ribbons oriented in the (0, 0, 1) direction. Hg is bonded to six equivalent Br atoms to form distorted face-sharing HgBr6 pentagonal pyramids. All Hg–Br bond lengths are 2.86 Å. Br is bonded in an L-shaped geometry to two equivalent Hg atoms.

36 MATERIALS SCIENCE↗

Materials Data on HgH10C3Br3N by Materials Project

HgBr3C3H7NH3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four trimethylazanium molecules and two HgBr3 ribbons oriented in the (1, 0, 0) direction. In each HgBr3 ribbon, Hg2+ is bonded to four Br1- atoms to form corner-sharing HgBr4 trigonal pyramids. There are a spread of Hg–Br bond distances ranging from 2.60–3.02 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Hg2+ atom. In the second Br1- site, Br1- is bonded in a water-like geometry to two equivalent Hg2+ atoms. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Hg2+ atom.

36 MATERIALS SCIENCE↗

Materials Data on HgH8C2Br3N by Materials Project

HgBr3CH3CH3NH2 crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of two methane molecules; two methylammonium molecules; and one HgBr3 ribbon oriented in the (0, 1, 0) direction. In the HgBr3 ribbon, Hg2+ is bonded to five Br1- atoms to form a mixture of distorted edge and corner-sharing HgBr5 trigonal bipyramids. There are a spread of Hg–Br bond distances ranging from 2.54–3.28 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Hg2+ atom. In the second Br1- site, Br1- is bonded in a distorted T-shaped geometry to three equivalent Hg2+ atoms. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Hg2+ atom.

36 MATERIALS SCIENCE↗

Materials Data on HgCBr3N by Materials Project

HgBr3CN crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of four hydrogen cyanide molecules and two HgBr3 ribbons oriented in the (0, 0, 1) direction. In each HgBr3 ribbon, Hg2+ is bonded to five Br1- atoms to form a mixture of edge and corner-sharing HgBr5 trigonal bipyramids. There are a spread of Hg–Br bond distances ranging from 2.56–3.28 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a T-shaped geometry to three equivalent Hg2+ atoms. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Hg2+ atom.

36 MATERIALS SCIENCE↗