Ba3PbV4O14 crystallizes in the triclinic P-1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(1), one O(11), one O(12), one O(13), one O(14), one O(2), one O(3), one O(5), one O(7), and one O(9) atom. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(12), one O(14), one O(2), one O(4), one O(5), one O(6), one O(9), and two equivalent O(10) atoms. In the third Ba site, Ba(3) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(3), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing VO4 tetrahedra. In the second V site, V(2) is bonded to one O(10), one O(12), one O(5), and one O(8) atom to form corner-sharing VO4 tetrahedra. In the third V site, V(3) is bonded to one O(13), one O(14), one O(2), and one O(7) atom to form corner-sharing VO4 tetrahedra. In the fourth V site, V(4) is bonded to one O(1), one O(11), one O(13), and one O(9) atom to form corner-sharing VO4 tetrahedra. Pb(1) is bonded in a 4-coordinate geometry to one O(11), one O(2), and two equivalent O(7) atoms. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), and one V(4) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one V(3), and one Pb(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), and one V(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ba(3), and one V(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Ba(3), and one V(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(3), and one V(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ba(1), one V(3), and two equivalent Pb(1) atoms. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Ba(3), one V(1), and one V(2) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Ba(3), and one V(4) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Ba(3), two equivalent Ba(2), and one V(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ba(1), one V(4), and one Pb(1) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one V(2) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one V(3), and one V(4) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one V(3) atom.
Ba3PbV4O14 crystallizes in the triclinic P-1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(1), one O(11), one O(12), one O(13), one O(14), one O(2), one O(3), one O(5), one O(7), and one O(9) atom. The Ba(1)-O(1) bond length is 2.76 Å. The Ba(1)-O(11) bond length is 2.91 Å. The Ba(1)-O(12) bond length is 3.11 Å. The Ba(1)-O(13) bond length is 2.93 Å. The Ba(1)-O(14) bond length is 2.98 Å. The Ba(1)-O(2) bond length is 3.25 Å. The Ba(1)-O(3) bond length is 2.93 Å. The Ba(1)-O(5) bond length is 2.74 Å. The Ba(1)-O(7) bond length is 2.85 Å. The Ba(1)-O(9) bond length is 2.91 Å. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(12), one O(14), one O(2), one O(4), one O(5), one O(6), one O(9), and two equivalent O(10) atoms. The Ba(2)-O(12) bond length is 2.86 Å. The Ba(2)-O(14) bond length is 2.90 Å. The Ba(2)-O(2) bond length is 2.93 Å. The Ba(2)-O(4) bond length is 2.72 Å. The Ba(2)-O(5) bond length is 2.89 Å. The Ba(2)-O(6) bond length is 2.81 Å. The Ba(2)-O(9) bond length is 2.96 Å. There is one shorter (2.84 Å) and one longer (2.90 Å) Ba(2)-O(10) bond length. In the third Ba site, Ba(3) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(3), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. The Ba(3)-O(1) bond length is 2.83 Å. The Ba(3)-O(10) bond length is 2.72 Å. The Ba(3)-O(3) bond length is 3.03 Å. The Ba(3)-O(4) bond length is 2.75 Å. The Ba(3)-O(5) bond length is 2.79 Å. The Ba(3)-O(6) bond length is 2.83 Å. The Ba(3)-O(8) bond length is 2.89 Å. The Ba(3)-O(9) bond length is 2.95 Å. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing VO4 tetrahedra. The V(1)-O(3) bond length is 1.72 Å. The V(1)-O(4) bond length is 1.71 Å. The V(1)-O(6) bond length is 1.73 Å. The V(1)-O(8) bond length is 1.85 Å. In the second V site, V(2) is bonded to one O(10), one O(12), one O(5), and one O(8) atom to form corner-sharing VO4 tetrahedra. The V(2)-O(10) bond length is 1.73 Å. The V(2)-O(12) bond length is 1.70 Å. The V(2)-O(5) bond length is 1.73 Å. The V(2)-O(8) bond length is 1.85 Å. In the third V site, V(3) is bonded to one O(13), one O(14), one O(2), and one O(7) atom to form corner-sharing VO4 tetrahedra. The V(3)-O(13) bond length is 1.83 Å. The V(3)-O(14) bond length is 1.69 Å. The V(3)-O(2) bond length is 1.72 Å. The V(3)-O(7) bond length is 1.76 Å. In the fourth V site, V(4) is bonded to one O(1), one O(11), one O(13), and one O(9) atom to form corner-sharing VO4 tetrahedra. The V(4)-O(1) bond length is 1.71 Å. The V(4)-O(11) bond length is 1.74 Å. The V(4)-O(13) bond length is 1.85 Å. The V(4)-O(9) bond length is 1.71 Å. Pb(1) is bonded in a 4-coordinate geometry to one O(11), one O(2), and two equivalent O(7) atoms. The Pb(1)-O(11) bond length is 2.37 Å. The Pb(1)-O(2) bond length is 2.64 Å. There is one shorter (2.52 Å) and one longer (2.56 Å) Pb(1)-O(7) bond length. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), and one V(4) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one V(3), and one Pb(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), and one V(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ba(3), and one V(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Ba(3), and one V(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(3), and one V(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Ba(1), one V(3), and two equivalent Pb(1) atoms. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Ba(3), one V(1), and one V(2) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Ba(3), and one V(4) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Ba(3), two equivalent Ba(2), and one V(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ba(1), one V(4), and one Pb(1) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one V(2) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one V(3), and one V(4) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one V(3) atom.