Nd3O2F5 crystallizes in the monoclinic Pm space group. There are six inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(4), one F(1), one F(4), two equivalent F(6), and two equivalent F(8) atoms. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to two equivalent O(2), one F(2), one F(3), two equivalent F(7), and two equivalent F(9) atoms. In the third Nd site, Nd(3) is bonded to one O(1), two equivalent O(3), one F(5), and two equivalent F(10) atoms to form a mixture of corner and edge-sharing NdO3F3 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. In the fourth Nd site, Nd(4) is bonded in a 7-coordinate geometry to one O(2), one F(6), one F(7), one F(8), two equivalent F(1), and two equivalent F(3) atoms. In the fifth Nd site, Nd(5) is bonded to one O(3), two equivalent O(1), one F(9), and two equivalent F(2) atoms to form a mixture of distorted corner and edge-sharing NdO3F3 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. In the sixth Nd site, Nd(6) is bonded in a 6-coordinate geometry to one O(4), one F(10), one F(8), two equivalent F(4), and two equivalent F(5) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Nd(3) and two equivalent Nd(5) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Nd(4) and two equivalent Nd(2) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Nd(5) and two equivalent Nd(3) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Nd(6) and two equivalent Nd(1) atoms. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Nd(1) and two equivalent Nd(4) atoms. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Nd(2) and two equivalent Nd(5) atoms. In the third F site, F(3) is bonded in a trigonal non-coplanar geometry to one Nd(2) and two equivalent Nd(4) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Nd(1) and two equivalent Nd(6) atoms. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Nd(3) and two equivalent Nd(6) atoms. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Nd(4) and two equivalent Nd(1) atoms. In the seventh F site, F(7) is bonded in a trigonal non-coplanar geometry to one Nd(4) and two equivalent Nd(2) atoms. In the eighth F site, F(8) is bonded in a 4-coordinate geometry to one Nd(4), one Nd(6), and two equivalent Nd(1) atoms. In the ninth F site, F(9) is bonded in a trigonal non-coplanar geometry to one Nd(5) and two equivalent Nd(2) atoms. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Nd(6) and two equivalent Nd(3) atoms.
Nd3O2F5 crystallizes in the monoclinic Pm space group. There are six inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(4), one F(1), one F(4), two equivalent F(6), and two equivalent F(8) atoms. Both Nd(1)-O(4) bond lengths are 2.42 Å. The Nd(1)-F(1) bond length is 2.43 Å. The Nd(1)-F(4) bond length is 2.45 Å. Both Nd(1)-F(6) bond lengths are 2.48 Å. Both Nd(1)-F(8) bond lengths are 2.48 Å. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to two equivalent O(2), one F(2), one F(3), two equivalent F(7), and two equivalent F(9) atoms. Both Nd(2)-O(2) bond lengths are 2.33 Å. The Nd(2)-F(2) bond length is 2.57 Å. The Nd(2)-F(3) bond length is 2.48 Å. Both Nd(2)-F(7) bond lengths are 2.50 Å. Both Nd(2)-F(9) bond lengths are 2.55 Å. In the third Nd site, Nd(3) is bonded to one O(1), two equivalent O(3), one F(5), and two equivalent F(10) atoms to form a mixture of corner and edge-sharing NdO3F3 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. The Nd(3)-O(1) bond length is 2.24 Å. Both Nd(3)-O(3) bond lengths are 2.27 Å. The Nd(3)-F(5) bond length is 2.59 Å. Both Nd(3)-F(10) bond lengths are 2.53 Å. In the fourth Nd site, Nd(4) is bonded in a 7-coordinate geometry to one O(2), one F(6), one F(7), one F(8), two equivalent F(1), and two equivalent F(3) atoms. The Nd(4)-O(2) bond length is 2.21 Å. The Nd(4)-F(6) bond length is 2.54 Å. The Nd(4)-F(7) bond length is 2.38 Å. The Nd(4)-F(8) bond length is 3.08 Å. Both Nd(4)-F(1) bond lengths are 2.38 Å. Both Nd(4)-F(3) bond lengths are 2.33 Å. In the fifth Nd site, Nd(5) is bonded to one O(3), two equivalent O(1), one F(9), and two equivalent F(2) atoms to form a mixture of distorted corner and edge-sharing NdO3F3 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. The Nd(5)-O(3) bond length is 2.30 Å. Both Nd(5)-O(1) bond lengths are 2.29 Å. The Nd(5)-F(9) bond length is 2.45 Å. Both Nd(5)-F(2) bond lengths are 2.48 Å. In the sixth Nd site, Nd(6) is bonded in a 6-coordinate geometry to one O(4), one F(10), one F(8), two equivalent F(4), and two equivalent F(5) atoms. The Nd(6)-O(4) bond length is 2.16 Å. The Nd(6)-F(10) bond length is 2.48 Å. The Nd(6)-F(8) bond length is 2.84 Å. Both Nd(6)-F(4) bond lengths are 2.31 Å. Both Nd(6)-F(5) bond lengths are 2.41 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Nd(3) and two equivalent Nd(5) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Nd(4) and two equivalent Nd(2) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Nd(5) and two equivalent Nd(3) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Nd(6) and two equivalent Nd(1) atoms. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Nd(1) and two equivalent Nd(4) atoms. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Nd(2) and two equivalent Nd(5) atoms. In the third F site, F(3) is bonded in a trigonal non-coplanar geometry to one Nd(2) and two equivalent Nd(4) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Nd(1) and two equivalent Nd(6) atoms. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Nd(3) and two equivalent Nd(6) atoms. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Nd(4) and two equivalent Nd(1) atoms. In the seventh F site, F(7) is bonded in a trigonal non-coplanar geometry to one Nd(4) and two equivalent Nd(2) atoms. In the eighth F site, F(8) is bonded in a 4-coordinate geometry to one Nd(4), one Nd(6), and two equivalent Nd(1) atoms. In the ninth F site, F(9) is bonded in a trigonal non-coplanar geometry to one Nd(5) and two equivalent Nd(2) atoms. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Nd(6) and two equivalent Nd(3) atoms.