NdOsO4 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), one O(8), and two equivalent O(4) atoms. In the second Nd site, Nd(2) is bonded in a 7-coordinate geometry to one O(1), one O(4), one O(7), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded to one O(2), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing OsO6 octahedra. The corner-sharing octahedral tilt angles range from 29-44°. In the second Os site, Os(2) is bonded to one O(1), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing OsO6 octahedra. The corner-sharing octahedral tilt angles range from 29-44°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Nd(1), one Nd(2), and one Os(2) atom. In the second O site, O(2) is bonded to one Nd(1), two equivalent Nd(2), and one Os(1) atom to form a mixture of corner and edge-sharing ONd3Os tetrahedra. In the third O site, O(3) is bonded to one Nd(1), two equivalent Nd(2), and one Os(1) atom to form a mixture of corner and edge-sharing ONd3Os tetrahedra. In the fourth O site, O(4) is bonded to one Nd(2), two equivalent Nd(1), and one Os(2) atom to form a mixture of distorted corner and edge-sharing ONd3Os tetrahedra. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Nd(1), one Os(1), and one Os(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Nd(1), one Os(1), and one Os(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Nd(2), one Os(1), and one Os(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Nd(1), one Os(1), and one Os(2) atom.
NdOsO4 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), one O(8), and two equivalent O(4) atoms. The Nd(1)-O(1) bond length is 2.41 Å. The Nd(1)-O(2) bond length is 2.47 Å. The Nd(1)-O(3) bond length is 2.40 Å. The Nd(1)-O(5) bond length is 2.50 Å. The Nd(1)-O(6) bond length is 2.70 Å. The Nd(1)-O(8) bond length is 2.56 Å. There is one shorter (2.46 Å) and one longer (2.48 Å) Nd(1)-O(4) bond length. In the second Nd site, Nd(2) is bonded in a 7-coordinate geometry to one O(1), one O(4), one O(7), two equivalent O(2), and two equivalent O(3) atoms. The Nd(2)-O(1) bond length is 2.31 Å. The Nd(2)-O(4) bond length is 2.49 Å. The Nd(2)-O(7) bond length is 2.42 Å. There is one shorter (2.36 Å) and one longer (2.44 Å) Nd(2)-O(2) bond length. There is one shorter (2.35 Å) and one longer (2.46 Å) Nd(2)-O(3) bond length. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded to one O(2), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing OsO6 octahedra. The corner-sharing octahedral tilt angles range from 29-44°. The Os(1)-O(2) bond length is 2.00 Å. The Os(1)-O(3) bond length is 1.98 Å. The Os(1)-O(5) bond length is 1.96 Å. The Os(1)-O(6) bond length is 1.91 Å. The Os(1)-O(7) bond length is 1.94 Å. The Os(1)-O(8) bond length is 1.98 Å. In the second Os site, Os(2) is bonded to one O(1), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing OsO6 octahedra. The corner-sharing octahedral tilt angles range from 29-44°. The Os(2)-O(1) bond length is 1.89 Å. The Os(2)-O(4) bond length is 2.01 Å. The Os(2)-O(5) bond length is 1.96 Å. The Os(2)-O(6) bond length is 1.95 Å. The Os(2)-O(7) bond length is 1.97 Å. The Os(2)-O(8) bond length is 1.99 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Nd(1), one Nd(2), and one Os(2) atom. In the second O site, O(2) is bonded to one Nd(1), two equivalent Nd(2), and one Os(1) atom to form a mixture of corner and edge-sharing ONd3Os tetrahedra. In the third O site, O(3) is bonded to one Nd(1), two equivalent Nd(2), and one Os(1) atom to form a mixture of corner and edge-sharing ONd3Os tetrahedra. In the fourth O site, O(4) is bonded to one Nd(2), two equivalent Nd(1), and one Os(2) atom to form a mixture of distorted corner and edge-sharing ONd3Os tetrahedra. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Nd(1), one Os(1), and one Os(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Nd(1), one Os(1), and one Os(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Nd(2), one Os(1), and one Os(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Nd(1), one Os(1), and one Os(2) atom.