Nd3Si6N11 crystallizes in the tetragonal P4bm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one N(2), one N(4), two equivalent N(1), and four equivalent N(3) atoms. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to four equivalent N(1) and four equivalent N(3) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one N(2), one N(4), and two equivalent N(3) atoms to form corner-sharing SiN4 tetrahedra. In the second Si site, Si(2) is bonded to one N(3), one N(4), and two equivalent N(1) atoms to form corner-sharing SiN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(4) is bonded in a trigonal planar geometry to one Nd(1), one Si(1), and two equivalent Si(2) atoms. In the second N site, N(1) is bonded to one Nd(1), one Nd(2), and two equivalent Si(2) atoms to form a mixture of distorted corner and edge-sharing NNd2Si2 trigonal pyramids. In the third N site, N(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Nd(1) and two equivalent Si(1) atoms. In the fourth N site, N(3) is bonded in a 2-coordinate geometry to one Nd(2), two equivalent Nd(1), one Si(1), and one Si(2) atom.
Nd3Si6N11 crystallizes in the tetragonal P4bm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one N(2), one N(4), two equivalent N(1), and four equivalent N(3) atoms. The Nd(1)-N(2) bond length is 2.61 Å. The Nd(1)-N(4) bond length is 2.79 Å. Both Nd(1)-N(1) bond lengths are 2.47 Å. There are two shorter (2.63 Å) and two longer (2.88 Å) Nd(1)-N(3) bond lengths. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to four equivalent N(1) and four equivalent N(3) atoms. All Nd(2)-N(1) bond lengths are 2.59 Å. All Nd(2)-N(3) bond lengths are 2.61 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one N(2), one N(4), and two equivalent N(3) atoms to form corner-sharing SiN4 tetrahedra. The Si(1)-N(2) bond length is 1.68 Å. The Si(1)-N(4) bond length is 1.76 Å. Both Si(1)-N(3) bond lengths are 1.73 Å. In the second Si site, Si(2) is bonded to one N(3), one N(4), and two equivalent N(1) atoms to form corner-sharing SiN4 tetrahedra. The Si(2)-N(3) bond length is 1.73 Å. The Si(2)-N(4) bond length is 1.77 Å. There is one shorter (1.71 Å) and one longer (1.74 Å) Si(2)-N(1) bond length. There are four inequivalent N sites. In the first N site, N(4) is bonded in a trigonal planar geometry to one Nd(1), one Si(1), and two equivalent Si(2) atoms. In the second N site, N(1) is bonded to one Nd(1), one Nd(2), and two equivalent Si(2) atoms to form a mixture of distorted corner and edge-sharing NNd2Si2 trigonal pyramids. In the third N site, N(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Nd(1) and two equivalent Si(1) atoms. In the fourth N site, N(3) is bonded in a 2-coordinate geometry to one Nd(2), two equivalent Nd(1), one Si(1), and one Si(2) atom.