PbWO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(4), one O(5), one O(7), and two equivalent O(8) atoms to form a mixture of distorted edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 22-34°. In the second W site, W(2) is bonded to one O(2), one O(5), one O(6), one O(7), and two equivalent O(3) atoms to form a mixture of distorted edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 22-34°. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to one W(1), one W(2), and one Pb(1) atom. In the second O site, O(6) is bonded in a distorted single-bond geometry to one W(2), one Pb(1), and one Pb(2) atom. In the third O site, O(7) is bonded in a distorted bent 150 degrees geometry to one W(1), one W(2), and one Pb(1) atom. In the fourth O site, O(8) is bonded to two equivalent W(1), one Pb(1), and one Pb(2) atom to form edge-sharing OPb2W2 tetrahedra. In the fifth O site, O(1) is bonded in a 3-coordinate geometry to one W(1), one Pb(1), and one Pb(2) atom. In the sixth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one W(2) and one Pb(2) atom. In the seventh O site, O(3) is bonded in a 4-coordinate geometry to two equivalent W(2), one Pb(1), and one Pb(2) atom. In the eighth O site, O(4) is bonded in a distorted single-bond geometry to one W(1), one Pb(1), and one Pb(2) atom.
PbWO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(4), one O(5), one O(7), and two equivalent O(8) atoms to form a mixture of distorted edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 22-34°. The W(1)-O(1) bond length is 1.86 Å. The W(1)-O(4) bond length is 1.84 Å. The W(1)-O(5) bond length is 2.09 Å. The W(1)-O(7) bond length is 1.87 Å. There is one shorter (2.05 Å) and one longer (2.20 Å) W(1)-O(8) bond length. In the second W site, W(2) is bonded to one O(2), one O(5), one O(6), one O(7), and two equivalent O(3) atoms to form a mixture of distorted edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 22-34°. The W(2)-O(2) bond length is 1.83 Å. The W(2)-O(5) bond length is 1.94 Å. The W(2)-O(6) bond length is 1.80 Å. The W(2)-O(7) bond length is 2.19 Å. There is one shorter (1.95 Å) and one longer (2.16 Å) W(2)-O(3) bond length. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. The Pb(1)-O(1) bond length is 2.49 Å. The Pb(1)-O(3) bond length is 2.62 Å. The Pb(1)-O(4) bond length is 2.63 Å. The Pb(1)-O(5) bond length is 2.64 Å. The Pb(1)-O(6) bond length is 2.79 Å. The Pb(1)-O(7) bond length is 2.88 Å. The Pb(1)-O(8) bond length is 2.50 Å. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom. The Pb(2)-O(1) bond length is 2.66 Å. The Pb(2)-O(2) bond length is 2.43 Å. The Pb(2)-O(3) bond length is 2.82 Å. The Pb(2)-O(4) bond length is 2.73 Å. The Pb(2)-O(6) bond length is 2.64 Å. The Pb(2)-O(8) bond length is 2.53 Å. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to one W(1), one W(2), and one Pb(1) atom. In the second O site, O(6) is bonded in a distorted single-bond geometry to one W(2), one Pb(1), and one Pb(2) atom. In the third O site, O(7) is bonded in a distorted bent 150 degrees geometry to one W(1), one W(2), and one Pb(1) atom. In the fourth O site, O(8) is bonded to two equivalent W(1), one Pb(1), and one Pb(2) atom to form edge-sharing OPb2W2 tetrahedra. In the fifth O site, O(1) is bonded in a 3-coordinate geometry to one W(1), one Pb(1), and one Pb(2) atom. In the sixth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one W(2) and one Pb(2) atom. In the seventh O site, O(3) is bonded in a 4-coordinate geometry to two equivalent W(2), one Pb(1), and one Pb(2) atom. In the eighth O site, O(4) is bonded in a distorted single-bond geometry to one W(1), one Pb(1), and one Pb(2) atom.