NdSeO3Cl crystallizes in the orthorhombic Pnma space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), one Cl(1), and three equivalent Cl(2) atoms. In the second Nd site, Nd(2) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(3), two equivalent O(4), three equivalent O(2), and one Cl(1) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2) and two equivalent O(4) atoms. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(1) and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Nd(2) and one Se(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Nd(2) and one Se(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Nd(1), one Nd(2), and one Se(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Nd(1), one Nd(2), and one Se(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in an L-shaped geometry to one Nd(1) and one Nd(2) atom. In the second Cl site, Cl(2) is bonded in a trigonal planar geometry to three equivalent Nd(1) atoms.
NdSeO3Cl crystallizes in the orthorhombic Pnma space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), one Cl(1), and three equivalent Cl(2) atoms. Both Nd(1)-O(3) bond lengths are 2.44 Å. Both Nd(1)-O(4) bond lengths are 2.42 Å. The Nd(1)-Cl(1) bond length is 2.80 Å. There is one shorter (2.97 Å) and two longer (3.08 Å) Nd(1)-Cl(2) bond lengths. In the second Nd site, Nd(2) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(3), two equivalent O(4), three equivalent O(2), and one Cl(1) atom. The Nd(2)-O(1) bond length is 2.40 Å. Both Nd(2)-O(3) bond lengths are 2.47 Å. Both Nd(2)-O(4) bond lengths are 2.51 Å. There is one shorter (2.47 Å) and two longer (2.90 Å) Nd(2)-O(2) bond lengths. The Nd(2)-Cl(1) bond length is 2.93 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2) and two equivalent O(4) atoms. The Se(1)-O(2) bond length is 1.75 Å. Both Se(1)-O(4) bond lengths are 1.74 Å. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(1) and two equivalent O(3) atoms. The Se(2)-O(1) bond length is 1.69 Å. Both Se(2)-O(3) bond lengths are 1.76 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Nd(2) and one Se(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Nd(2) and one Se(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Nd(1), one Nd(2), and one Se(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Nd(1), one Nd(2), and one Se(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in an L-shaped geometry to one Nd(1) and one Nd(2) atom. In the second Cl site, Cl(2) is bonded in a trigonal planar geometry to three equivalent Nd(1) atoms.