BiF3 is alpha bismuth trifluoride structured and crystallizes in the cubic P-43m space group. The structure consists of four hydrofluoric acid atoms inside a BiF2 framework. In the BiF2 framework, Bi(1) is bonded in a body-centered cubic geometry to one F(4), one F(5), three equivalent F(2), and three equivalent F(3) atoms. There are four inequivalent F sites. In the first F site, F(2) is bonded to four equivalent Bi(1) atoms to form a mixture of edge and corner-sharing FBi4 tetrahedra. In the second F site, F(3) is bonded to four equivalent Bi(1) atoms to form a mixture of edge and corner-sharing FBi4 tetrahedra. In the third F site, F(4) is bonded to four equivalent Bi(1) atoms to form a mixture of edge and corner-sharing FBi4 tetrahedra. In the fourth F site, F(5) is bonded to four equivalent Bi(1) atoms to form a mixture of edge and corner-sharing FBi4 tetrahedra.
BiF3 is alpha bismuth trifluoride structured and crystallizes in the cubic P-43m space group. The structure consists of four hydrofluoric acid atoms inside a BiF2 framework. In the BiF2 framework, Bi(1) is bonded in a body-centered cubic geometry to one F(4), one F(5), three equivalent F(2), and three equivalent F(3) atoms. The Bi(1)-F(4) bond length is 2.52 Å. The Bi(1)-F(5) bond length is 2.47 Å. All Bi(1)-F(2) bond lengths are 2.50 Å. All Bi(1)-F(3) bond lengths are 2.49 Å. There are four inequivalent F sites. In the first F site, F(2) is bonded to four equivalent Bi(1) atoms to form a mixture of edge and corner-sharing FBi4 tetrahedra. In the second F site, F(3) is bonded to four equivalent Bi(1) atoms to form a mixture of edge and corner-sharing FBi4 tetrahedra. In the third F site, F(4) is bonded to four equivalent Bi(1) atoms to form a mixture of edge and corner-sharing FBi4 tetrahedra. In the fourth F site, F(5) is bonded to four equivalent Bi(1) atoms to form a mixture of edge and corner-sharing FBi4 tetrahedra.