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DOE OSTI2020

Materials Data on KBr by Materials Project

KBr is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent Br1- atoms to form a mixture of edge and corner-sharing KBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All K–Br bond lengths are 3.35 Å. Br1- is bonded to six equivalent K1+ atoms to form a mixture of edge and corner-sharing BrK6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on KBr by Materials Project

KBr is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent Br1- atoms. All K–Br bond lengths are 3.50 Å. Br1- is bonded in a body-centered cubic geometry to eight equivalent K1+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on KBr3 by Materials Project

KBr3 crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two KBr3 sheets oriented in the (0, 0, 1) direction. K is bonded in a hexagonal planar geometry to six equivalent Br atoms. All K–Br bond lengths are 3.23 Å. Br is bonded in a linear geometry to two equivalent K atoms.

36 MATERIALS SCIENCE↗