Na3Nd(BO3)2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a 3-coordinate geometry to one O(1), one O(3), and one O(4) atom. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Nd(1) is bonded to one O(1), one O(2), one O(3), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form a mixture of distorted edge and corner-sharing NdO8 hexagonal bipyramids. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(6) is bonded in a distorted single-bond geometry to one Na(1), one Na(3), two equivalent Nd(1), and one B(2) atom. In the second O site, O(1) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Nd(1), and one B(2) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to one Na(3), two equivalent Na(1), one Nd(1), and one B(2) atom. In the fourth O site, O(3) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Nd(1), and one B(1) atom. In the fifth O site, O(4) is bonded in a distorted single-bond geometry to one Na(1), one Na(2), one Na(3), one Nd(1), and one B(1) atom. In the sixth O site, O(5) is bonded to one Na(1), one Na(3), two equivalent Nd(1), and one B(1) atom to form distorted corner-sharing ONa2Nd2B trigonal bipyramids.
Na3Nd(BO3)2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms. The Na(1)-O(1) bond length is 2.39 Å. The Na(1)-O(3) bond length is 2.68 Å. The Na(1)-O(4) bond length is 2.48 Å. The Na(1)-O(5) bond length is 2.47 Å. The Na(1)-O(6) bond length is 2.59 Å. There is one shorter (2.53 Å) and one longer (2.58 Å) Na(1)-O(2) bond length. In the second Na site, Na(2) is bonded in a 3-coordinate geometry to one O(1), one O(3), and one O(4) atom. The Na(2)-O(1) bond length is 2.35 Å. The Na(2)-O(3) bond length is 2.39 Å. The Na(2)-O(4) bond length is 2.32 Å. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Na(3)-O(1) bond length is 2.50 Å. The Na(3)-O(2) bond length is 2.50 Å. The Na(3)-O(3) bond length is 2.26 Å. The Na(3)-O(4) bond length is 2.69 Å. The Na(3)-O(5) bond length is 2.30 Å. The Na(3)-O(6) bond length is 2.49 Å. Nd(1) is bonded to one O(1), one O(2), one O(3), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form a mixture of distorted edge and corner-sharing NdO8 hexagonal bipyramids. The Nd(1)-O(1) bond length is 2.46 Å. The Nd(1)-O(2) bond length is 2.39 Å. The Nd(1)-O(3) bond length is 2.46 Å. The Nd(1)-O(4) bond length is 2.47 Å. There is one shorter (2.53 Å) and one longer (2.54 Å) Nd(1)-O(5) bond length. Both Nd(1)-O(6) bond lengths are 2.53 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. The B(1)-O(3) bond length is 1.39 Å. The B(1)-O(4) bond length is 1.39 Å. The B(1)-O(5) bond length is 1.40 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(6) atom. The B(2)-O(1) bond length is 1.40 Å. The B(2)-O(2) bond length is 1.37 Å. The B(2)-O(6) bond length is 1.41 Å. There are six inequivalent O sites. In the first O site, O(6) is bonded in a distorted single-bond geometry to one Na(1), one Na(3), two equivalent Nd(1), and one B(2) atom. In the second O site, O(1) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Nd(1), and one B(2) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to one Na(3), two equivalent Na(1), one Nd(1), and one B(2) atom. In the fourth O site, O(3) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Nd(1), and one B(1) atom. In the fifth O site, O(4) is bonded in a distorted single-bond geometry to one Na(1), one Na(2), one Na(3), one Nd(1), and one B(1) atom. In the sixth O site, O(5) is bonded to one Na(1), one Na(3), two equivalent Nd(1), and one B(1) atom to form distorted corner-sharing ONa2Nd2B trigonal bipyramids.