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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on HfBrN by Materials Project

HfNBr crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three HfNBr sheets oriented in the (0, 0, 1) direction. Hf4+ is bonded in a 4-coordinate geometry to four equivalent N3- and three equivalent Br1- atoms. There are three shorter (2.14 Å) and one longer (2.16 Å) Hf–N bond lengths. All Hf–Br bond lengths are 2.89 Å. N3- is bonded to four equivalent Hf4+ atoms to form a mixture of corner and edge-sharing NHf4 tetrahedra. Br1- is bonded in a 3-coordinate geometry to three equivalent Hf4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfBrN by Materials Project

HfNBr crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one HfNBr sheet oriented in the (0, 0, 1) direction. Hf4+ is bonded in a 6-coordinate geometry to four equivalent N3- and two equivalent Br1- atoms. There are two shorter (2.13 Å) and two longer (2.14 Å) Hf–N bond lengths. Both Hf–Br bond lengths are 2.75 Å. N3- is bonded to four equivalent Hf4+ atoms to form a mixture of distorted edge and corner-sharing NHf4 tetrahedra. Br1- is bonded in an L-shaped geometry to two equivalent Hf4+ atoms.

36 MATERIALS SCIENCE↗