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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on BiF3 by Materials Project

BiF3 is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Bi3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Bi–F bond distances ranging from 2.28–2.49 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Bi3+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to three equivalent Bi3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BiF3 by Materials Project

BiF3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Bi3+ is bonded in a distorted body-centered cubic geometry to fourteen F1- atoms. There are eight shorter (2.50 Å) and six longer (2.88 Å) Bi–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent Bi3+ and four equivalent F1- atoms to form a mixture of face, edge, and corner-sharing FBi4F4 tetrahedra. All F–F bond lengths are 2.50 Å. In the second F1- site, F1- is bonded in a 6-coordinate geometry to six equivalent Bi3+ and eight equivalent F1- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BiF3 by Materials Project

BiF3 is alpha bismuth trifluoride structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Bi3+ is bonded in a distorted body-centered cubic geometry to fourteen F1- atoms. There are a spread of Bi–F bond distances ranging from 2.47–2.92 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to six equivalent Bi3+ and eight F1- atoms. There are a spread of F–F bond distances ranging from 2.45–2.54 Å. In the second F1- site, F1- is bonded to four equivalent Bi3+ and four equivalent F1- atoms to form a mixture of edge, face, and corner-sharing FBi4F4 tetrahedra. In the third F1- site, F1- is bonded to four equivalent Bi3+ and four equivalent F1- atoms to form a mixture of edge, face, and corner-sharing FBi4F4 tetrahedra. In the fourth F1- site, F1- is bonded to four equivalent Bi3+ and four equivalent F1- atoms to form a mixture of edge, face, and corner-sharing FBi4F4 tetrahedra. In the fifth F1- site, F1- is bonded to four equivalent Bi3+ and four equivalent F1- atoms to form a mixture of edge, face, and corner-sharing FBi4F4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BiF3 by Materials Project

BiF3 is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Bi3+ is bonded in a 5-coordinate geometry to eleven F1- atoms. There are a spread of Bi–F bond distances ranging from 2.31–2.67 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Bi3+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to four equivalent Bi3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

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↗
DOE OSTI2020

Materials Data on BiF4 by Materials Project

BiF4 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one BiF4 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a body-centered cubic geometry to eight F atoms. There are four shorter (2.17 Å) and four longer (2.18 Å) Bi–F bond lengths. In the second Bi site, Bi is bonded in a body-centered cubic geometry to eight F atoms. There are a spread of Bi–F bond distances ranging from 2.35–2.38 Å. There are eight inequivalent F sites. In the first F site, F is bonded in a bent 120 degrees geometry to two Bi atoms. In the second F site, F is bonded in a bent 120 degrees geometry to two Bi atoms. In the third F site, F is bonded in a bent 120 degrees geometry to two Bi atoms. In the fourth F site, F is bonded in a bent 120 degrees geometry to two Bi atoms. In the fifth F site, F is bonded in a bent 120 degrees geometry to two Bi atoms. In the sixth F site, F is bonded in a bent 120 degrees geometry to two Bi atoms. In the seventh F site, F is bonded in a bent 120 degrees geometry to two Bi atoms. In the eighth F site, F is bonded in a bent 120 degrees geometry to two Bi atoms.

36 MATERIALS SCIENCE↗