YZr3F15 crystallizes in the monoclinic C2/c space group. Y(1) is bonded in a 8-coordinate geometry to two equivalent F(2), two equivalent F(3), two equivalent F(4), and two equivalent F(8) atoms. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in an octahedral geometry to two equivalent F(4), two equivalent F(5), and two equivalent F(6) atoms. In the second Zr site, Zr(2) is bonded in a 8-coordinate geometry to one F(2), one F(3), one F(5), one F(6), one F(7), one F(8), and two equivalent F(1) atoms. There are eight inequivalent F sites. In the first F site, F(7) is bonded in a linear geometry to two equivalent Zr(2) atoms. In the second F site, F(8) is bonded in a linear geometry to one Y(1) and one Zr(2) atom. In the third F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent Zr(2) atoms. In the fourth F site, F(2) is bonded in a bent 150 degrees geometry to one Y(1) and one Zr(2) atom. In the fifth F site, F(3) is bonded in a bent 150 degrees geometry to one Y(1) and one Zr(2) atom. In the sixth F site, F(4) is bonded in a bent 150 degrees geometry to one Y(1) and one Zr(1) atom. In the seventh F site, F(5) is bonded in a bent 150 degrees geometry to one Zr(1) and one Zr(2) atom. In the eighth F site, F(6) is bonded in a bent 150 degrees geometry to one Zr(1) and one Zr(2) atom.
YZr3F15 crystallizes in the monoclinic C2/c space group. Y(1) is bonded in a 8-coordinate geometry to two equivalent F(2), two equivalent F(3), two equivalent F(4), and two equivalent F(8) atoms. Both Y(1)-F(2) bond lengths are 2.24 Å. Both Y(1)-F(3) bond lengths are 2.23 Å. Both Y(1)-F(4) bond lengths are 2.30 Å. Both Y(1)-F(8) bond lengths are 2.22 Å. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in an octahedral geometry to two equivalent F(4), two equivalent F(5), and two equivalent F(6) atoms. Both Zr(1)-F(4) bond lengths are 1.99 Å. Both Zr(1)-F(5) bond lengths are 2.02 Å. Both Zr(1)-F(6) bond lengths are 2.04 Å. In the second Zr site, Zr(2) is bonded in a 8-coordinate geometry to one F(2), one F(3), one F(5), one F(6), one F(7), one F(8), and two equivalent F(1) atoms. The Zr(2)-F(2) bond length is 2.03 Å. The Zr(2)-F(3) bond length is 2.04 Å. The Zr(2)-F(5) bond length is 2.27 Å. The Zr(2)-F(6) bond length is 2.23 Å. The Zr(2)-F(7) bond length is 2.12 Å. The Zr(2)-F(8) bond length is 2.05 Å. Both Zr(2)-F(1) bond lengths are 2.13 Å. There are eight inequivalent F sites. In the first F site, F(7) is bonded in a linear geometry to two equivalent Zr(2) atoms. In the second F site, F(8) is bonded in a linear geometry to one Y(1) and one Zr(2) atom. In the third F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent Zr(2) atoms. In the fourth F site, F(2) is bonded in a bent 150 degrees geometry to one Y(1) and one Zr(2) atom. In the fifth F site, F(3) is bonded in a bent 150 degrees geometry to one Y(1) and one Zr(2) atom. In the sixth F site, F(4) is bonded in a bent 150 degrees geometry to one Y(1) and one Zr(1) atom. In the seventh F site, F(5) is bonded in a bent 150 degrees geometry to one Zr(1) and one Zr(2) atom. In the eighth F site, F(6) is bonded in a bent 150 degrees geometry to one Zr(1) and one Zr(2) atom.