Li2VO3F is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(12), one O(3), one O(5), one O(6), one O(9), and one F(3) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(11), one O(5), one F(2), and one F(3) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(2), one O(5), and one O(6) atom. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(4), one O(9), and one F(3) atom. In the fifth Li site, Li(5) is bonded in a distorted single-bond geometry to one O(12), one O(6), one O(8), and one F(4) atom. In the sixth Li site, Li(6) is bonded in a 2-coordinate geometry to one O(4), one O(6), one O(7), and one F(2) atom. In the seventh Li site, Li(7) is bonded in a 6-coordinate geometry to one O(2), one O(5), one O(7), one O(8), one O(9), and one F(1) atom. In the eighth Li site, Li(8) is bonded to one O(1), one O(10), one O(12), one O(5), one O(7), and one F(2) atom to form distorted LiO5F octahedra that share  an edgeedge with one V(1)O4F2 pentagonal pyramid. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(11), one O(3), one O(9), one F(1), and one F(2) atom to form distorted VO4F2 pentagonal pyramids that share  an edgeedge with one Li(8)O5F octahedra. In the second V site, V(2) is bonded in a distorted single-bond geometry to one O(3), one O(4), one F(1), and one F(4) atom. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(6), one O(7), one F(1), and one F(3) atom. In the fourth V site, V(4) is bonded in a distorted single-bond geometry to one O(1), one O(11), one O(12), and one O(2) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(4), one Li(8), one V(3), and one V(4) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(3), one Li(7), and one V(4) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Li(1), one V(1), and one V(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(4), one Li(6), and one V(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one Li(7), and one Li(8) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Li(5), one Li(6), and one V(3) atom. In the seventh O site, O(7) is bonded to one Li(6), one Li(7), one Li(8), and one V(3) atom to form distorted corner-sharing OLi3V trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Li(5) and one Li(7) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(4), one Li(7), and one V(1) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(4), one Li(8), and one V(1) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Li(3), one V(1), one V(3), and one V(4) atom to form distorted corner-sharing OLi2V3 square pyramids. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(5), one Li(8), and one V(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a see-saw-like geometry to one Li(7), one V(1), one V(2), and one V(3) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(2), one Li(6), one Li(8), and one V(1) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(4), and one V(3) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Li(5) and one V(2) atom.
Li2VO3F is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(12), one O(3), one O(5), one O(6), one O(9), and one F(3) atom. The Li(1)-O(12) bond length is 2.03 Å. The Li(1)-O(3) bond length is 2.43 Å. The Li(1)-O(5) bond length is 1.63 Å. The Li(1)-O(6) bond length is 1.93 Å. The Li(1)-O(9) bond length is 2.00 Å. The Li(1)-F(3) bond length is 1.96 Å. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(11), one O(5), one F(2), and one F(3) atom. The Li(2)-O(11) bond length is 2.37 Å. The Li(2)-O(5) bond length is 2.24 Å. The Li(2)-F(2) bond length is 1.98 Å. The Li(2)-F(3) bond length is 2.23 Å. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(2), one O(5), and one O(6) atom. The Li(3)-O(10) bond length is 2.21 Å. The Li(3)-O(11) bond length is 2.43 Å. The Li(3)-O(2) bond length is 1.79 Å. The Li(3)-O(5) bond length is 2.24 Å. The Li(3)-O(6) bond length is 2.24 Å. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(4), one O(9), and one F(3) atom. The Li(4)-O(1) bond length is 2.22 Å. The Li(4)-O(10) bond length is 1.56 Å. The Li(4)-O(4) bond length is 2.16 Å. The Li(4)-O(9) bond length is 2.30 Å. The Li(4)-F(3) bond length is 2.21 Å. In the fifth Li site, Li(5) is bonded in a distorted single-bond geometry to one O(12), one O(6), one O(8), and one F(4) atom. The Li(5)-O(12) bond length is 2.18 Å. The Li(5)-O(6) bond length is 2.27 Å. The Li(5)-O(8) bond length is 0.99 Å. The Li(5)-F(4) bond length is 2.04 Å. In the sixth Li site, Li(6) is bonded in a 2-coordinate geometry to one O(4), one O(6), one O(7), and one F(2) atom. The Li(6)-O(4) bond length is 1.64 Å. The Li(6)-O(6) bond length is 1.48 Å. The Li(6)-O(7) bond length is 2.23 Å. The Li(6)-F(2) bond length is 2.46 Å. In the seventh Li site, Li(7) is bonded in a 6-coordinate geometry to one O(2), one O(5), one O(7), one O(8), one O(9), and one F(1) atom. The Li(7)-O(2) bond length is 1.87 Å. The Li(7)-O(5) bond length is 2.14 Å. The Li(7)-O(7) bond length is 2.10 Å. The Li(7)-O(8) bond length is 1.75 Å. The Li(7)-O(9) bond length is 2.43 Å. The Li(7)-F(1) bond length is 2.01 Å. In the eighth Li site, Li(8) is bonded to one O(1), one O(10), one O(12), one O(5), one O(7), and one F(2) atom to form distorted LiO5F octahedra that share  an edgeedge with one V(1)O4F2 pentagonal pyramid. The Li(8)-O(1) bond length is 2.33 Å. The Li(8)-O(10) bond length is 1.90 Å. The Li(8)-O(12) bond length is 2.34 Å. The Li(8)-O(5) bond length is 1.98 Å. The Li(8)-O(7) bond length is 1.98 Å. The Li(8)-F(2) bond length is 1.97 Å. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(11), one O(3), one O(9), one F(1), and one F(2) atom to form distorted VO4F2 pentagonal pyramids that share  an edgeedge with one Li(8)O5F octahedra. The V(1)-O(10) bond length is 2.08 Å. The V(1)-O(11) bond length is 2.13 Å. The V(1)-O(3) bond length is 2.22 Å. The V(1)-O(9) bond length is 1.78 Å. The V(1)-F(1) bond length is 2.11 Å. The V(1)-F(2) bond length is 1.96 Å. In the second V site, V(2) is bonded in a distorted single-bond geometry to one O(3), one O(4), one F(1), and one F(4) atom. The V(2)-O(3) bond length is 1.29 Å. The V(2)-O(4) bond length is 1.93 Å. The V(2)-F(1) bond length is 2.06 Å. The V(2)-F(4) bond length is 2.11 Å. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(6), one O(7), one F(1), and one F(3) atom. The V(3)-O(1) bond length is 2.09 Å. The V(3)-O(11) bond length is 1.94 Å. The V(3)-O(6) bond length is 2.21 Å. The V(3)-O(7) bond length is 1.76 Å. The V(3)-F(1) bond length is 1.98 Å. The V(3)-F(3) bond length is 2.32 Å. In the fourth V site, V(4) is bonded in a distorted single-bond geometry to one O(1), one O(11), one O(12), and one O(2) atom. The V(4)-O(1) bond length is 1.23 Å. The V(4)-O(11) bond length is 2.13 Å. The V(4)-O(12) bond length is 2.40 Å. The V(4)-O(2) bond length is 2.31 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(4), one Li(8), one V(3), and one V(4) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(3), one Li(7), and one V(4) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Li(1), one V(1), and one V(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(4), one Li(6), and one V(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one Li(7), and one Li(8) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Li(5), one Li(6), and one V(3) atom. In the seventh O site, O(7) is bonded to one Li(6), one Li(7), one Li(8), and one V(3) atom to form distorted corner-sharing OLi3V trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Li(5) and one Li(7) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(4), one Li(7), and one V(1) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(4), one Li(8), and one V(1) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Li(3), one V(1), one V(3), and one V(4) atom to form distorted corner-sharing OLi2V3 square pyramids. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(5), one Li(8), and one V(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a see-saw-like geometry to one Li(7), one V(1), one V(2), and one V(3) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(2), one Li(6), one Li(8), and one V(1) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(4), and one V(3) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Li(5) and one V(2) atom.