LiBi2As2(PbO5)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted trigonal planar geometry to one Pb(2), one O(10), one O(3), and one O(5) atom. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to one O(5), one O(7), one O(8), and one O(9) atom. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one Li(1), one O(1), one O(4), one O(7), and one O(8) atom. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(4), one O(7), and one O(8) atom. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one O(2), one O(6), one O(7), one O(8), and one O(9) atom. There are two inequivalent As sites. In the first As site, As(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(4), and one O(6) atom. In the second As site, As(2) is bonded in a tetrahedral geometry to one O(1), one O(10), one O(5), and one O(9) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Pb(2), one Bi(1), and one As(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Bi(2) and one As(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one Li(1) and one As(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Pb(2), one Bi(1), and one As(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Pb(1), and one As(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Bi(2) and one As(1) atom. In the seventh O site, O(7) is bonded to one Pb(1), one Pb(2), one Bi(1), and one Bi(2) atom to form edge-sharing OBi2Pb2 tetrahedra. In the eighth O site, O(8) is bonded to one Pb(1), one Pb(2), one Bi(1), and one Bi(2) atom to form edge-sharing OBi2Pb2 tetrahedra. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Pb(1), one Bi(2), and one As(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one Bi(1), and one As(2) atom.
LiBi2As2(PbO5)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted trigonal planar geometry to one Pb(2), one O(10), one O(3), and one O(5) atom. The Li(1)-Pb(2) bond length is 2.89 Å. The Li(1)-O(10) bond length is 1.90 Å. The Li(1)-O(3) bond length is 1.95 Å. The Li(1)-O(5) bond length is 1.87 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to one O(5), one O(7), one O(8), and one O(9) atom. The Pb(1)-O(5) bond length is 2.57 Å. The Pb(1)-O(7) bond length is 2.50 Å. The Pb(1)-O(8) bond length is 2.46 Å. The Pb(1)-O(9) bond length is 2.54 Å. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one Li(1), one O(1), one O(4), one O(7), and one O(8) atom. The Pb(2)-O(1) bond length is 2.65 Å. The Pb(2)-O(4) bond length is 2.42 Å. The Pb(2)-O(7) bond length is 2.32 Å. The Pb(2)-O(8) bond length is 2.42 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(4), one O(7), and one O(8) atom. The Bi(1)-O(1) bond length is 2.39 Å. The Bi(1)-O(10) bond length is 2.54 Å. The Bi(1)-O(4) bond length is 2.35 Å. The Bi(1)-O(7) bond length is 2.47 Å. The Bi(1)-O(8) bond length is 2.19 Å. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one O(2), one O(6), one O(7), one O(8), and one O(9) atom. The Bi(2)-O(2) bond length is 2.32 Å. The Bi(2)-O(6) bond length is 2.68 Å. The Bi(2)-O(7) bond length is 2.20 Å. The Bi(2)-O(8) bond length is 2.37 Å. The Bi(2)-O(9) bond length is 2.44 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(4), and one O(6) atom. The As(1)-O(2) bond length is 1.76 Å. The As(1)-O(3) bond length is 1.75 Å. The As(1)-O(4) bond length is 1.77 Å. The As(1)-O(6) bond length is 1.73 Å. In the second As site, As(2) is bonded in a tetrahedral geometry to one O(1), one O(10), one O(5), and one O(9) atom. The As(2)-O(1) bond length is 1.77 Å. The As(2)-O(10) bond length is 1.77 Å. The As(2)-O(5) bond length is 1.73 Å. The As(2)-O(9) bond length is 1.74 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Pb(2), one Bi(1), and one As(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Bi(2) and one As(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one Li(1) and one As(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Pb(2), one Bi(1), and one As(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Pb(1), and one As(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Bi(2) and one As(1) atom. In the seventh O site, O(7) is bonded to one Pb(1), one Pb(2), one Bi(1), and one Bi(2) atom to form edge-sharing OBi2Pb2 tetrahedra. In the eighth O site, O(8) is bonded to one Pb(1), one Pb(2), one Bi(1), and one Bi(2) atom to form edge-sharing OBi2Pb2 tetrahedra. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Pb(1), one Bi(2), and one As(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one Bi(1), and one As(2) atom.