Pb3BiV3O12 crystallizes in the monoclinic Cc space group. There are three inequivalent V sites. In the first V site, V(1) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. In the second V site, V(2) is bonded in a tetrahedral geometry to one O(1), one O(10), one O(12), and one O(3) atom. In the third V site, V(3) is bonded in a tetrahedral geometry to one O(11), one O(2), one O(4), and one O(9) atom. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(3), one O(4), one O(5), and one O(6) atom. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(7), and one O(8) atom. In the third Pb site, Pb(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom. Bi(1) is bonded in a 6-coordinate geometry to one O(10), one O(3), one O(4), one O(7), one O(8), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one V(2), one Pb(2), and one Pb(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one V(3), one Pb(2), and one Pb(3) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one V(2), one Pb(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one V(3), one Pb(1), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one V(1), one Pb(1), and one Pb(3) atom. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to one V(1), one Pb(1), and one Pb(3) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one V(1), one Pb(2), and one Bi(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one V(1), one Pb(2), and one Bi(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one V(3), one Pb(3), and one Bi(1) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one V(2), one Pb(3), and one Bi(1) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one V(3), one Pb(1), and one Pb(2) atom. In the twelfth O site, O(12) is bonded in a 1-coordinate geometry to one V(2), one Pb(1), and one Pb(2) atom.
Pb3BiV3O12 crystallizes in the monoclinic Cc space group. There are three inequivalent V sites. In the first V site, V(1) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. The V(1)-O(5) bond length is 1.73 Å. The V(1)-O(6) bond length is 1.73 Å. The V(1)-O(7) bond length is 1.79 Å. The V(1)-O(8) bond length is 1.75 Å. In the second V site, V(2) is bonded in a tetrahedral geometry to one O(1), one O(10), one O(12), and one O(3) atom. The V(2)-O(1) bond length is 1.74 Å. The V(2)-O(10) bond length is 1.76 Å. The V(2)-O(12) bond length is 1.74 Å. The V(2)-O(3) bond length is 1.76 Å. In the third V site, V(3) is bonded in a tetrahedral geometry to one O(11), one O(2), one O(4), and one O(9) atom. The V(3)-O(11) bond length is 1.72 Å. The V(3)-O(2) bond length is 1.72 Å. The V(3)-O(4) bond length is 1.77 Å. The V(3)-O(9) bond length is 1.77 Å. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(3), one O(4), one O(5), and one O(6) atom. The Pb(1)-O(11) bond length is 2.73 Å. The Pb(1)-O(12) bond length is 2.32 Å. The Pb(1)-O(3) bond length is 2.40 Å. The Pb(1)-O(4) bond length is 2.84 Å. The Pb(1)-O(5) bond length is 2.37 Å. The Pb(1)-O(6) bond length is 2.80 Å. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(7), and one O(8) atom. The Pb(2)-O(1) bond length is 2.32 Å. The Pb(2)-O(11) bond length is 2.40 Å. The Pb(2)-O(12) bond length is 2.77 Å. The Pb(2)-O(2) bond length is 2.73 Å. The Pb(2)-O(7) bond length is 2.85 Å. The Pb(2)-O(8) bond length is 2.45 Å. In the third Pb site, Pb(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom. The Pb(3)-O(1) bond length is 2.81 Å. The Pb(3)-O(10) bond length is 2.40 Å. The Pb(3)-O(2) bond length is 2.42 Å. The Pb(3)-O(5) bond length is 2.70 Å. The Pb(3)-O(6) bond length is 2.35 Å. The Pb(3)-O(9) bond length is 2.85 Å. Bi(1) is bonded in a 6-coordinate geometry to one O(10), one O(3), one O(4), one O(7), one O(8), and one O(9) atom. The Bi(1)-O(10) bond length is 2.71 Å. The Bi(1)-O(3) bond length is 2.67 Å. The Bi(1)-O(4) bond length is 2.20 Å. The Bi(1)-O(7) bond length is 2.19 Å. The Bi(1)-O(8) bond length is 2.71 Å. The Bi(1)-O(9) bond length is 2.22 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one V(2), one Pb(2), and one Pb(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one V(3), one Pb(2), and one Pb(3) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one V(2), one Pb(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one V(3), one Pb(1), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one V(1), one Pb(1), and one Pb(3) atom. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to one V(1), one Pb(1), and one Pb(3) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one V(1), one Pb(2), and one Bi(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one V(1), one Pb(2), and one Bi(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one V(3), one Pb(3), and one Bi(1) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one V(2), one Pb(3), and one Bi(1) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one V(3), one Pb(1), and one Pb(2) atom. In the twelfth O site, O(12) is bonded in a 1-coordinate geometry to one V(2), one Pb(1), and one Pb(2) atom.