Pb4O(BO3)2 crystallizes in the orthorhombic Aea2 space group. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3), one O(7), and one O(8) atom. There are four inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form a mixture of distorted corner and edge-sharing PbO5 square pyramids. In the second Pb site, Pb(2) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(7) atom to form a mixture of distorted corner and edge-sharing PbO5 square pyramids. In the third Pb site, Pb(3) is bonded in a 3-coordinate geometry to one O(2), one O(4), and one O(5) atom. In the fourth Pb site, Pb(4) is bonded in a distorted T-shaped geometry to one O(2), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a distorted single-bond geometry to one B(1), one Pb(1), and one Pb(3) atom. In the second O site, O(6) is bonded to two equivalent Pb(1) and two equivalent Pb(4) atoms to form distorted edge-sharing OPb4 trigonal pyramids. In the third O site, O(7) is bonded in a distorted single-bond geometry to one B(2), one Pb(2), and one Pb(4) atom. In the fourth O site, O(8) is bonded in a bent 120 degrees geometry to two equivalent B(2) atoms. In the fifth O site, O(4) is bonded in a distorted single-bond geometry to one B(1), one Pb(2), and one Pb(3) atom. In the sixth O site, O(1) is bonded in a distorted single-bond geometry to one B(1), one Pb(1), and one Pb(2) atom. In the seventh O site, O(2) is bonded to one Pb(1), one Pb(2), one Pb(3), and one Pb(4) atom to form edge-sharing OPb4 tetrahedra. In the eighth O site, O(3) is bonded in a distorted single-bond geometry to one B(2), one Pb(1), and one Pb(2) atom.
Pb4O(BO3)2 crystallizes in the orthorhombic Aea2 space group. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. The B(1)-O(1) bond length is 1.39 Å. The B(1)-O(4) bond length is 1.39 Å. The B(1)-O(5) bond length is 1.40 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3), one O(7), and one O(8) atom. The B(2)-O(3) bond length is 1.37 Å. The B(2)-O(7) bond length is 1.37 Å. The B(2)-O(8) bond length is 1.42 Å. There are four inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form a mixture of distorted corner and edge-sharing PbO5 square pyramids. The Pb(1)-O(1) bond length is 2.68 Å. The Pb(1)-O(2) bond length is 2.31 Å. The Pb(1)-O(3) bond length is 2.46 Å. The Pb(1)-O(5) bond length is 2.56 Å. The Pb(1)-O(6) bond length is 2.68 Å. In the second Pb site, Pb(2) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(7) atom to form a mixture of distorted corner and edge-sharing PbO5 square pyramids. The Pb(2)-O(1) bond length is 2.43 Å. The Pb(2)-O(2) bond length is 2.32 Å. The Pb(2)-O(3) bond length is 2.63 Å. The Pb(2)-O(4) bond length is 2.53 Å. The Pb(2)-O(7) bond length is 2.56 Å. In the third Pb site, Pb(3) is bonded in a 3-coordinate geometry to one O(2), one O(4), and one O(5) atom. The Pb(3)-O(2) bond length is 2.30 Å. The Pb(3)-O(4) bond length is 2.36 Å. The Pb(3)-O(5) bond length is 2.34 Å. In the fourth Pb site, Pb(4) is bonded in a distorted T-shaped geometry to one O(2), one O(6), and one O(7) atom. The Pb(4)-O(2) bond length is 2.31 Å. The Pb(4)-O(6) bond length is 2.24 Å. The Pb(4)-O(7) bond length is 2.27 Å. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a distorted single-bond geometry to one B(1), one Pb(1), and one Pb(3) atom. In the second O site, O(6) is bonded to two equivalent Pb(1) and two equivalent Pb(4) atoms to form distorted edge-sharing OPb4 trigonal pyramids. In the third O site, O(7) is bonded in a distorted single-bond geometry to one B(2), one Pb(2), and one Pb(4) atom. In the fourth O site, O(8) is bonded in a bent 120 degrees geometry to two equivalent B(2) atoms. In the fifth O site, O(4) is bonded in a distorted single-bond geometry to one B(1), one Pb(2), and one Pb(3) atom. In the sixth O site, O(1) is bonded in a distorted single-bond geometry to one B(1), one Pb(1), and one Pb(2) atom. In the seventh O site, O(2) is bonded to one Pb(1), one Pb(2), one Pb(3), and one Pb(4) atom to form edge-sharing OPb4 tetrahedra. In the eighth O site, O(3) is bonded in a distorted single-bond geometry to one B(2), one Pb(1), and one Pb(2) atom.