Nd6Ge3Se14 crystallizes in the trigonal P3 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one Se(1), one Se(4), two equivalent Se(3), two equivalent Se(5), and two equivalent Se(6) atoms. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to one Se(2), one Se(3), two equivalent Se(4), two equivalent Se(5), and two equivalent Se(6) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a tetrahedral geometry to one Se(1) and three equivalent Se(3) atoms. In the second Ge site, Ge(2) is bonded in a tetrahedral geometry to one Se(2) and three equivalent Se(4) atoms. In the third Ge site, Ge(3) is bonded in an octahedral geometry to three equivalent Se(5) and three equivalent Se(6) atoms. There are six inequivalent Se sites. In the first Se site, Se(1) is bonded to three equivalent Nd(1) and one Ge(1) atom to form corner-sharing SeNd3Ge tetrahedra. In the second Se site, Se(2) is bonded to three equivalent Nd(2) and one Ge(2) atom to form corner-sharing SeNd3Ge tetrahedra. In the third Se site, Se(3) is bonded in a distorted rectangular see-saw-like geometry to one Nd(2), two equivalent Nd(1), and one Ge(1) atom. In the fourth Se site, Se(4) is bonded in a distorted rectangular see-saw-like geometry to one Nd(1), two equivalent Nd(2), and one Ge(2) atom. In the fifth Se site, Se(5) is bonded to two equivalent Nd(1), two equivalent Nd(2), and one Ge(3) atom to form distorted SeNd4Ge trigonal bipyramids that share corners with two equivalent Se(1)Nd3Ge tetrahedra, corners with two equivalent Se(2)Nd3Ge tetrahedra, corners with two equivalent Se(5)Nd4Ge trigonal bipyramids, and edges with two equivalent Se(5)Nd4Ge trigonal bipyramids. In the sixth Se site, Se(6) is bonded in a 5-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), and one Ge(3) atom.
Nd6Ge3Se14 crystallizes in the trigonal P3 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one Se(1), one Se(4), two equivalent Se(3), two equivalent Se(5), and two equivalent Se(6) atoms. The Nd(1)-Se(1) bond length is 3.16 Å. The Nd(1)-Se(4) bond length is 3.20 Å. There is one shorter (3.01 Å) and one longer (3.09 Å) Nd(1)-Se(3) bond length. There is one shorter (3.06 Å) and one longer (3.32 Å) Nd(1)-Se(5) bond length. There is one shorter (2.98 Å) and one longer (3.00 Å) Nd(1)-Se(6) bond length. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to one Se(2), one Se(3), two equivalent Se(4), two equivalent Se(5), and two equivalent Se(6) atoms. The Nd(2)-Se(2) bond length is 3.15 Å. The Nd(2)-Se(3) bond length is 3.17 Å. There is one shorter (3.01 Å) and one longer (3.08 Å) Nd(2)-Se(4) bond length. There is one shorter (2.97 Å) and one longer (3.01 Å) Nd(2)-Se(5) bond length. There is one shorter (3.08 Å) and one longer (3.29 Å) Nd(2)-Se(6) bond length. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a tetrahedral geometry to one Se(1) and three equivalent Se(3) atoms. The Ge(1)-Se(1) bond length is 2.32 Å. All Ge(1)-Se(3) bond lengths are 2.38 Å. In the second Ge site, Ge(2) is bonded in a tetrahedral geometry to one Se(2) and three equivalent Se(4) atoms. The Ge(2)-Se(2) bond length is 2.32 Å. All Ge(2)-Se(4) bond lengths are 2.37 Å. In the third Ge site, Ge(3) is bonded in an octahedral geometry to three equivalent Se(5) and three equivalent Se(6) atoms. All Ge(3)-Se(5) bond lengths are 2.79 Å. All Ge(3)-Se(6) bond lengths are 2.85 Å. There are six inequivalent Se sites. In the first Se site, Se(1) is bonded to three equivalent Nd(1) and one Ge(1) atom to form corner-sharing SeNd3Ge tetrahedra. In the second Se site, Se(2) is bonded to three equivalent Nd(2) and one Ge(2) atom to form corner-sharing SeNd3Ge tetrahedra. In the third Se site, Se(3) is bonded in a distorted rectangular see-saw-like geometry to one Nd(2), two equivalent Nd(1), and one Ge(1) atom. In the fourth Se site, Se(4) is bonded in a distorted rectangular see-saw-like geometry to one Nd(1), two equivalent Nd(2), and one Ge(2) atom. In the fifth Se site, Se(5) is bonded to two equivalent Nd(1), two equivalent Nd(2), and one Ge(3) atom to form distorted SeNd4Ge trigonal bipyramids that share corners with two equivalent Se(1)Nd3Ge tetrahedra, corners with two equivalent Se(2)Nd3Ge tetrahedra, corners with two equivalent Se(5)Nd4Ge trigonal bipyramids, and edges with two equivalent Se(5)Nd4Ge trigonal bipyramids. In the sixth Se site, Se(6) is bonded in a 5-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), and one Ge(3) atom.