Pb3Bi(PO4)3 crystallizes in the monoclinic Cc space group. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(3), one O(6), one O(7), and one O(9) atom. In the third Pb site, Pb(3) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom. Bi(1) is bonded to one O(1), one O(10), one O(11), one O(4), one O(6), and one O(7) atom to form distorted BiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(12), and one O(3) atom to form PO4 tetrahedra that share corners with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-38°. In the second P site, P(2) is bonded to one O(11), one O(2), one O(4), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-62°. In the third P site, P(3) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-61°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Pb(3), one Bi(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Pb(1), one Pb(2), and one P(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Pb(1), one Pb(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Pb(3), one Bi(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Pb(1), one Pb(3), and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Pb(2), one Bi(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Pb(2), one Bi(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Pb(1), one Pb(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Pb(2), one Pb(3), and one P(2) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Pb(1), one Bi(1), and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Pb(1), one Bi(1), and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Pb(2), one Pb(3), and one P(1) atom.
Pb3Bi(PO4)3 crystallizes in the monoclinic Cc space group. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom. The Pb(1)-O(10) bond length is 2.75 Å. The Pb(1)-O(11) bond length is 2.49 Å. The Pb(1)-O(2) bond length is 2.36 Å. The Pb(1)-O(3) bond length is 2.64 Å. The Pb(1)-O(5) bond length is 2.41 Å. The Pb(1)-O(8) bond length is 2.72 Å. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(3), one O(6), one O(7), and one O(9) atom. The Pb(2)-O(12) bond length is 2.66 Å. The Pb(2)-O(2) bond length is 2.72 Å. The Pb(2)-O(3) bond length is 2.44 Å. The Pb(2)-O(6) bond length is 2.58 Å. The Pb(2)-O(7) bond length is 2.79 Å. The Pb(2)-O(9) bond length is 2.36 Å. In the third Pb site, Pb(3) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom. The Pb(3)-O(1) bond length is 2.78 Å. The Pb(3)-O(12) bond length is 2.47 Å. The Pb(3)-O(4) bond length is 2.49 Å. The Pb(3)-O(5) bond length is 2.63 Å. The Pb(3)-O(8) bond length is 2.40 Å. The Pb(3)-O(9) bond length is 2.75 Å. Bi(1) is bonded to one O(1), one O(10), one O(11), one O(4), one O(6), and one O(7) atom to form distorted BiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The Bi(1)-O(1) bond length is 2.28 Å. The Bi(1)-O(10) bond length is 2.26 Å. The Bi(1)-O(11) bond length is 2.56 Å. The Bi(1)-O(4) bond length is 2.59 Å. The Bi(1)-O(6) bond length is 2.57 Å. The Bi(1)-O(7) bond length is 2.24 Å. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(12), and one O(3) atom to form PO4 tetrahedra that share corners with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-38°. The P(1)-O(1) bond length is 1.57 Å. The P(1)-O(10) bond length is 1.57 Å. The P(1)-O(12) bond length is 1.54 Å. The P(1)-O(3) bond length is 1.54 Å. In the second P site, P(2) is bonded to one O(11), one O(2), one O(4), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-62°. The P(2)-O(11) bond length is 1.57 Å. The P(2)-O(2) bond length is 1.55 Å. The P(2)-O(4) bond length is 1.57 Å. The P(2)-O(9) bond length is 1.55 Å. In the third P site, P(3) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-61°. The P(3)-O(5) bond length is 1.54 Å. The P(3)-O(6) bond length is 1.56 Å. The P(3)-O(7) bond length is 1.58 Å. The P(3)-O(8) bond length is 1.55 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Pb(3), one Bi(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Pb(1), one Pb(2), and one P(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Pb(1), one Pb(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Pb(3), one Bi(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Pb(1), one Pb(3), and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Pb(2), one Bi(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Pb(2), one Bi(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Pb(1), one Pb(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Pb(2), one Pb(3), and one P(2) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Pb(1), one Bi(1), and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Pb(1), one Bi(1), and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Pb(2), one Pb(3), and one P(1) atom.