BiZr3F15 crystallizes in the monoclinic C2/c space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in an octahedral geometry to two equivalent F(3), two equivalent F(4), and two equivalent F(5) atoms. In the second Zr site, Zr(2) is bonded in a 8-coordinate geometry to one F(1), one F(2), one F(3), one F(5), one F(6), one F(7), and two equivalent F(8) atoms. Bi(1) is bonded in a 8-coordinate geometry to two equivalent F(2), two equivalent F(4), two equivalent F(6), and two equivalent F(7) atoms. There are eight inequivalent F sites. In the first F site, F(6) is bonded in a bent 150 degrees geometry to one Zr(2) and one Bi(1) atom. In the second F site, F(7) is bonded in a bent 150 degrees geometry to one Zr(2) and one Bi(1) atom. In the third F site, F(8) is bonded in a bent 150 degrees geometry to two equivalent Zr(2) atoms. In the fourth F site, F(1) is bonded in a linear geometry to two equivalent Zr(2) atoms. In the fifth F site, F(2) is bonded in a linear geometry to one Zr(2) and one Bi(1) atom. In the sixth F site, F(3) is bonded in a bent 150 degrees geometry to one Zr(1) and one Zr(2) atom. In the seventh F site, F(4) is bonded in a bent 150 degrees geometry to one Zr(1) and one Bi(1) atom. In the eighth F site, F(5) is bonded in a bent 150 degrees geometry to one Zr(1) and one Zr(2) atom.
BiZr3F15 crystallizes in the monoclinic C2/c space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in an octahedral geometry to two equivalent F(3), two equivalent F(4), and two equivalent F(5) atoms. Both Zr(1)-F(3) bond lengths are 2.05 Å. Both Zr(1)-F(4) bond lengths are 1.99 Å. Both Zr(1)-F(5) bond lengths are 2.02 Å. In the second Zr site, Zr(2) is bonded in a 8-coordinate geometry to one F(1), one F(2), one F(3), one F(5), one F(6), one F(7), and two equivalent F(8) atoms. The Zr(2)-F(1) bond length is 2.13 Å. The Zr(2)-F(2) bond length is 2.06 Å. The Zr(2)-F(3) bond length is 2.22 Å. The Zr(2)-F(5) bond length is 2.34 Å. The Zr(2)-F(6) bond length is 2.03 Å. The Zr(2)-F(7) bond length is 2.03 Å. There is one shorter (2.13 Å) and one longer (2.14 Å) Zr(2)-F(8) bond length. Bi(1) is bonded in a 8-coordinate geometry to two equivalent F(2), two equivalent F(4), two equivalent F(6), and two equivalent F(7) atoms. Both Bi(1)-F(2) bond lengths are 2.29 Å. Both Bi(1)-F(4) bond lengths are 2.36 Å. Both Bi(1)-F(6) bond lengths are 2.30 Å. Both Bi(1)-F(7) bond lengths are 2.31 Å. There are eight inequivalent F sites. In the first F site, F(6) is bonded in a bent 150 degrees geometry to one Zr(2) and one Bi(1) atom. In the second F site, F(7) is bonded in a bent 150 degrees geometry to one Zr(2) and one Bi(1) atom. In the third F site, F(8) is bonded in a bent 150 degrees geometry to two equivalent Zr(2) atoms. In the fourth F site, F(1) is bonded in a linear geometry to two equivalent Zr(2) atoms. In the fifth F site, F(2) is bonded in a linear geometry to one Zr(2) and one Bi(1) atom. In the sixth F site, F(3) is bonded in a bent 150 degrees geometry to one Zr(1) and one Zr(2) atom. In the seventh F site, F(4) is bonded in a bent 150 degrees geometry to one Zr(1) and one Bi(1) atom. In the eighth F site, F(5) is bonded in a bent 150 degrees geometry to one Zr(1) and one Zr(2) atom.