PaOCl2 crystallizes in the orthorhombic Pbam space group. There are three inequivalent Pa sites. In the first Pa site, Pa(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), one Cl(2), one Cl(3), and two equivalent Cl(1) atoms. In the second Pa site, Pa(2) is bonded in a 8-coordinate geometry to one O(1), two equivalent O(3), one Cl(2), one Cl(3), one Cl(4), and two equivalent Cl(5) atoms. In the third Pa site, Pa(3) is bonded in a 9-coordinate geometry to one O(2), one O(3), two equivalent O(1), one Cl(5), two equivalent Cl(4), and two equivalent Cl(6) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Pa(1), one Pa(2), and two equivalent Pa(3) atoms to form corner-sharing OPa4 tetrahedra. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Pa(3) and two equivalent Pa(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Pa(3) and two equivalent Pa(2) atoms. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in an L-shaped geometry to two equivalent Pa(1) atoms. In the second Cl site, Cl(2) is bonded in a bent 150 degrees geometry to one Pa(1) and one Pa(2) atom. In the third Cl site, Cl(3) is bonded in an L-shaped geometry to one Pa(1) and one Pa(2) atom. In the fourth Cl site, Cl(4) is bonded in a 3-coordinate geometry to one Pa(2) and two equivalent Pa(3) atoms. In the fifth Cl site, Cl(5) is bonded in a distorted T-shaped geometry to one Pa(3) and two equivalent Pa(2) atoms. In the sixth Cl site, Cl(6) is bonded in an L-shaped geometry to two equivalent Pa(3) atoms.
PaOCl2 crystallizes in the orthorhombic Pbam space group. There are three inequivalent Pa sites. In the first Pa site, Pa(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), one Cl(2), one Cl(3), and two equivalent Cl(1) atoms. The Pa(1)-O(1) bond length is 2.27 Å. Both Pa(1)-O(2) bond lengths are 2.23 Å. The Pa(1)-Cl(2) bond length is 2.78 Å. The Pa(1)-Cl(3) bond length is 2.80 Å. Both Pa(1)-Cl(1) bond lengths are 2.81 Å. In the second Pa site, Pa(2) is bonded in a 8-coordinate geometry to one O(1), two equivalent O(3), one Cl(2), one Cl(3), one Cl(4), and two equivalent Cl(5) atoms. The Pa(2)-O(1) bond length is 2.32 Å. Both Pa(2)-O(3) bond lengths are 2.17 Å. The Pa(2)-Cl(2) bond length is 2.80 Å. The Pa(2)-Cl(3) bond length is 2.78 Å. The Pa(2)-Cl(4) bond length is 3.07 Å. Both Pa(2)-Cl(5) bond lengths are 2.95 Å. In the third Pa site, Pa(3) is bonded in a 9-coordinate geometry to one O(2), one O(3), two equivalent O(1), one Cl(5), two equivalent Cl(4), and two equivalent Cl(6) atoms. The Pa(3)-O(2) bond length is 2.27 Å. The Pa(3)-O(3) bond length is 2.34 Å. Both Pa(3)-O(1) bond lengths are 2.41 Å. The Pa(3)-Cl(5) bond length is 3.10 Å. Both Pa(3)-Cl(4) bond lengths are 2.91 Å. Both Pa(3)-Cl(6) bond lengths are 2.85 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Pa(1), one Pa(2), and two equivalent Pa(3) atoms to form corner-sharing OPa4 tetrahedra. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Pa(3) and two equivalent Pa(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Pa(3) and two equivalent Pa(2) atoms. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in an L-shaped geometry to two equivalent Pa(1) atoms. In the second Cl site, Cl(2) is bonded in a bent 150 degrees geometry to one Pa(1) and one Pa(2) atom. In the third Cl site, Cl(3) is bonded in an L-shaped geometry to one Pa(1) and one Pa(2) atom. In the fourth Cl site, Cl(4) is bonded in a 3-coordinate geometry to one Pa(2) and two equivalent Pa(3) atoms. In the fifth Cl site, Cl(5) is bonded in a distorted T-shaped geometry to one Pa(3) and two equivalent Pa(2) atoms. In the sixth Cl site, Cl(6) is bonded in an L-shaped geometry to two equivalent Pa(3) atoms.