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Materials Data on BiF5 by Materials Project

BiF5 crystallizes in the tetragonal I4/m space group. The structure is one-dimensional and consists of two BiF5 ribbons oriented in the (0, 0, 1) direction. Bi5+ is bonded to six F1- atoms to form corner-sharing BiF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.01 Å) and two longer (2.18 Å) Bi–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Bi5+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on BiF5 by Materials Project

BiF5 crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two BiF5 sheets oriented in the (0, 0, 1) direction. Bi5+ is bonded to eight F1- atoms to form a mixture of edge and corner-sharing BiF8 hexagonal bipyramids. There are a spread of Bi–F bond distances ranging from 2.02–2.38 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Bi5+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the third F1- site, F1- is bonded in a distorted linear geometry to two equivalent Bi5+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on BiF5 by Materials Project

BiF5 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two BiF5 ribbons oriented in the (0, 0, 1) direction. Bi5+ is bonded to six F1- atoms to form corner-sharing BiF6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are a spread of Bi–F bond distances ranging from 2.00–2.18 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Bi5+ atoms.

36 MATERIALS SCIENCE↗