K3NdV2O8 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 1-coordinate geometry to one O(5) atom. In the second K site, K(2) is bonded in a 10-coordinate geometry to one O(3), two equivalent O(4), three equivalent O(2), and four equivalent O(1) atoms. In the third K site, K(3) is bonded in a 9-coordinate geometry to one O(2), one O(6), two equivalent O(1), two equivalent O(4), and three equivalent O(3) atoms. Nd(1) is bonded in a 7-coordinate geometry to one O(2), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the second V site, V(2) is bonded in a tetrahedral geometry to one O(5), one O(6), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(3), two equivalent K(2), one Nd(1), and one V(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one K(3), three equivalent K(2), one Nd(1), and one V(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one K(2), three equivalent K(3), and one V(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one K(2), one K(3), one Nd(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one K(1), one Nd(1), and one V(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one K(3), one Nd(1), and one V(2) atom.
K3NdV2O8 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 1-coordinate geometry to one O(5) atom. The K(1)-O(5) bond length is 2.59 Å. In the second K site, K(2) is bonded in a 10-coordinate geometry to one O(3), two equivalent O(4), three equivalent O(2), and four equivalent O(1) atoms. The K(2)-O(3) bond length is 2.66 Å. Both K(2)-O(4) bond lengths are 2.93 Å. There are two shorter (3.04 Å) and one longer (3.20 Å) K(2)-O(2) bond length. There are two shorter (2.99 Å) and two longer (3.20 Å) K(2)-O(1) bond lengths. In the third K site, K(3) is bonded in a 9-coordinate geometry to one O(2), one O(6), two equivalent O(1), two equivalent O(4), and three equivalent O(3) atoms. The K(3)-O(2) bond length is 2.77 Å. The K(3)-O(6) bond length is 2.74 Å. Both K(3)-O(1) bond lengths are 3.07 Å. Both K(3)-O(4) bond lengths are 2.94 Å. There is one shorter (2.88 Å) and two longer (3.21 Å) K(3)-O(3) bond lengths. Nd(1) is bonded in a 7-coordinate geometry to one O(2), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. The Nd(1)-O(2) bond length is 2.48 Å. The Nd(1)-O(5) bond length is 2.48 Å. The Nd(1)-O(6) bond length is 2.68 Å. Both Nd(1)-O(1) bond lengths are 2.36 Å. Both Nd(1)-O(4) bond lengths are 2.45 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. The V(1)-O(2) bond length is 1.75 Å. The V(1)-O(3) bond length is 1.71 Å. Both V(1)-O(1) bond lengths are 1.76 Å. In the second V site, V(2) is bonded in a tetrahedral geometry to one O(5), one O(6), and two equivalent O(4) atoms. The V(2)-O(5) bond length is 1.73 Å. The V(2)-O(6) bond length is 1.74 Å. Both V(2)-O(4) bond lengths are 1.75 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(3), two equivalent K(2), one Nd(1), and one V(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one K(3), three equivalent K(2), one Nd(1), and one V(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one K(2), three equivalent K(3), and one V(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one K(2), one K(3), one Nd(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one K(1), one Nd(1), and one V(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one K(3), one Nd(1), and one V(2) atom.