Nd3AlSi5N10O crystallizes in the monoclinic Pc space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one N(1), one N(2), one N(6), one N(8), one N(9), two equivalent N(4), and one O(1) atom. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to one N(1), one N(10), one N(2), one N(5), one N(7), two equivalent N(3), and one O(1) atom. In the third Nd site, Nd(3) is bonded in a 8-coordinate geometry to one N(1), one N(2), one N(3), one N(4), one N(5), one N(6), one N(7), and one N(8) atom. Al(1) is bonded to one N(1), one N(5), one N(8), and one N(9) atom to form AlN4 tetrahedra that share  a cornercorner with one Si(4)N4 tetrahedra, corners with two equivalent Si(1)N3O tetrahedra, and corners with two equivalent Si(5)N4 tetrahedra. There are five inequivalent Si sites. In the first Si site, Si(1) is bonded to one N(1), one N(4), one N(9), and one O(1) atom to form SiN3O tetrahedra that share  a cornercorner with one Si(2)N3O tetrahedra, corners with two equivalent Al(1)N4 tetrahedra, and corners with two equivalent Si(5)N4 tetrahedra. In the second Si site, Si(2) is bonded to one N(10), one N(2), one N(3), and one O(1) atom to form SiN3O tetrahedra that share  a cornercorner with one Si(1)N3O tetrahedra, corners with two equivalent Si(3)N4 tetrahedra, and corners with two equivalent Si(4)N4 tetrahedra. In the third Si site, Si(3) is bonded to one N(10), one N(2), one N(6), and one N(7) atom to form SiN4 tetrahedra that share  a cornercorner with one Si(5)N4 tetrahedra, corners with two equivalent Si(2)N3O tetrahedra, and corners with two equivalent Si(4)N4 tetrahedra. In the fourth Si site, Si(4) is bonded to one N(10), one N(3), one N(5), and one N(7) atom to form SiN4 tetrahedra that share  a cornercorner with one Al(1)N4 tetrahedra, corners with two equivalent Si(2)N3O tetrahedra, and corners with two equivalent Si(3)N4 tetrahedra. In the fifth Si site, Si(5) is bonded to one N(4), one N(6), one N(8), and one N(9) atom to form SiN4 tetrahedra that share  a cornercorner with one Si(3)N4 tetrahedra, corners with two equivalent Al(1)N4 tetrahedra, and corners with two equivalent Si(1)N3O tetrahedra. There are ten inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one Nd(1), one Nd(2), one Nd(3), one Al(1), and one Si(1) atom. In the second N site, N(2) is bonded in a distorted bent 120 degrees geometry to one Nd(1), one Nd(2), one Nd(3), one Si(2), and one Si(3) atom. In the third N site, N(3) is bonded in a distorted bent 120 degrees geometry to one Nd(3), two equivalent Nd(2), one Si(2), and one Si(4) atom. In the fourth N site, N(4) is bonded in a distorted bent 120 degrees geometry to one Nd(3), two equivalent Nd(1), one Si(1), and one Si(5) atom. In the fifth N site, N(5) is bonded to one Nd(2), one Nd(3), one Al(1), and one Si(4) atom to form distorted NNd2AlSi trigonal pyramids that share  a cornercorner with one N(6)Nd2Si2 trigonal pyramid,  a cornercorner with one N(7)Nd2Si2 trigonal pyramid,  an edgeedge with one N(8)Nd2AlSi trigonal pyramid, and  an edgeedge with one N(7)Nd2Si2 trigonal pyramid. In the sixth N site, N(6) is bonded to one Nd(1), one Nd(3), one Si(3), and one Si(5) atom to form distorted NNd2Si2 trigonal pyramids that share  a cornercorner with one N(5)Nd2AlSi trigonal pyramid,  a cornercorner with one N(8)Nd2AlSi trigonal pyramid,  an edgeedge with one N(8)Nd2AlSi trigonal pyramid, and  an edgeedge with one N(7)Nd2Si2 trigonal pyramid. In the seventh N site, N(7) is bonded to one Nd(2), one Nd(3), one Si(3), and one Si(4) atom to form distorted NNd2Si2 trigonal pyramids that share  a cornercorner with one N(5)Nd2AlSi trigonal pyramid,  a cornercorner with one N(8)Nd2AlSi trigonal pyramid,  an edgeedge with one N(5)Nd2AlSi trigonal pyramid, and  an edgeedge with one N(6)Nd2Si2 trigonal pyramid. In the eighth N site, N(8) is bonded to one Nd(1), one Nd(3), one Al(1), and one Si(5) atom to form distorted NNd2AlSi trigonal pyramids that share  a cornercorner with one N(6)Nd2Si2 trigonal pyramid,  a cornercorner with one N(7)Nd2Si2 trigonal pyramid,  an edgeedge with one N(5)Nd2AlSi trigonal pyramid, and  an edgeedge with one N(6)Nd2Si2 trigonal pyramid. In the ninth N site, N(9) is bonded in a distorted trigonal planar geometry to one Nd(1), one Al(1), one Si(1), and one Si(5) atom. In the tenth N site, N(10) is bonded in a trigonal planar geometry to one Nd(2), one Si(2), one Si(3), and one Si(4) atom. O(1) is bonded in a distorted linear geometry to one Nd(1), one Nd(2), one Si(1), and one Si(2) atom.
Nd3AlSi5N10O crystallizes in the monoclinic Pc space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one N(1), one N(2), one N(6), one N(8), one N(9), two equivalent N(4), and one O(1) atom. The Nd(1)-N(1) bond length is 2.71 Å. The Nd(1)-N(2) bond length is 2.97 Å. The Nd(1)-N(6) bond length is 2.45 Å. The Nd(1)-N(8) bond length is 2.36 Å. The Nd(1)-N(9) bond length is 2.76 Å. There is one shorter (2.70 Å) and one longer (2.92 Å) Nd(1)-N(4) bond length. The Nd(1)-O(1) bond length is 2.74 Å. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to one N(1), one N(10), one N(2), one N(5), one N(7), two equivalent N(3), and one O(1) atom. The Nd(2)-N(1) bond length is 2.71 Å. The Nd(2)-N(10) bond length is 2.84 Å. The Nd(2)-N(2) bond length is 2.72 Å. The Nd(2)-N(5) bond length is 2.37 Å. The Nd(2)-N(7) bond length is 2.47 Å. There is one shorter (2.69 Å) and one longer (2.91 Å) Nd(2)-N(3) bond length. The Nd(2)-O(1) bond length is 2.77 Å. In the third Nd site, Nd(3) is bonded in a 8-coordinate geometry to one N(1), one N(2), one N(3), one N(4), one N(5), one N(6), one N(7), and one N(8) atom. The Nd(3)-N(1) bond length is 2.62 Å. The Nd(3)-N(2) bond length is 2.72 Å. The Nd(3)-N(3) bond length is 2.72 Å. The Nd(3)-N(4) bond length is 2.73 Å. The Nd(3)-N(5) bond length is 2.57 Å. The Nd(3)-N(6) bond length is 2.58 Å. The Nd(3)-N(7) bond length is 2.63 Å. The Nd(3)-N(8) bond length is 2.55 Å. Al(1) is bonded to one N(1), one N(5), one N(8), and one N(9) atom to form AlN4 tetrahedra that share  a cornercorner with one Si(4)N4 tetrahedra, corners with two equivalent Si(1)N3O tetrahedra, and corners with two equivalent Si(5)N4 tetrahedra. The Al(1)-N(1) bond length is 1.86 Å. The Al(1)-N(5) bond length is 1.84 Å. The Al(1)-N(8) bond length is 1.86 Å. The Al(1)-N(9) bond length is 1.89 Å. There are five inequivalent Si sites. In the first Si site, Si(1) is bonded to one N(1), one N(4), one N(9), and one O(1) atom to form SiN3O tetrahedra that share  a cornercorner with one Si(2)N3O tetrahedra, corners with two equivalent Al(1)N4 tetrahedra, and corners with two equivalent Si(5)N4 tetrahedra. The Si(1)-N(1) bond length is 1.71 Å. The Si(1)-N(4) bond length is 1.72 Å. The Si(1)-N(9) bond length is 1.72 Å. The Si(1)-O(1) bond length is 1.71 Å. In the second Si site, Si(2) is bonded to one N(10), one N(2), one N(3), and one O(1) atom to form SiN3O tetrahedra that share  a cornercorner with one Si(1)N3O tetrahedra, corners with two equivalent Si(3)N4 tetrahedra, and corners with two equivalent Si(4)N4 tetrahedra. The Si(2)-N(10) bond length is 1.75 Å. The Si(2)-N(2) bond length is 1.71 Å. The Si(2)-N(3) bond length is 1.72 Å. The Si(2)-O(1) bond length is 1.69 Å. In the third Si site, Si(3) is bonded to one N(10), one N(2), one N(6), and one N(7) atom to form SiN4 tetrahedra that share  a cornercorner with one Si(5)N4 tetrahedra, corners with two equivalent Si(2)N3O tetrahedra, and corners with two equivalent Si(4)N4 tetrahedra. The Si(3)-N(10) bond length is 1.81 Å. The Si(3)-N(2) bond length is 1.74 Å. The Si(3)-N(6) bond length is 1.73 Å. The Si(3)-N(7) bond length is 1.76 Å. In the fourth Si site, Si(4) is bonded to one N(10), one N(3), one N(5), and one N(7) atom to form SiN4 tetrahedra that share  a cornercorner with one Al(1)N4 tetrahedra, corners with two equivalent Si(2)N3O tetrahedra, and corners with two equivalent Si(3)N4 tetrahedra. The Si(4)-N(10) bond length is 1.82 Å. The Si(4)-N(3) bond length is 1.75 Å. The Si(4)-N(5) bond length is 1.72 Å. The Si(4)-N(7) bond length is 1.74 Å. In the fifth Si site, Si(5) is bonded to one N(4), one N(6), one N(8), and one N(9) atom to form SiN4 tetrahedra that share  a cornercorner with one Si(3)N4 tetrahedra, corners with two equivalent Al(1)N4 tetrahedra, and corners with two equivalent Si(1)N3O tetrahedra. The Si(5)-N(4) bond length is 1.75 Å. The Si(5)-N(6) bond length is 1.77 Å. The Si(5)-N(8) bond length is 1.70 Å. The Si(5)-N(9) bond length is 1.75 Å. There are ten inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one Nd(1), one Nd(2), one Nd(3), one Al(1), and one Si(1) atom. In the second N site, N(2) is bonded in a distorted bent 120 degrees geometry to one Nd(1), one Nd(2), one Nd(3), one Si(2), and one Si(3) atom. In the third N site, N(3) is bonded in a distorted bent 120 degrees geometry to one Nd(3), two equivalent Nd(2), one Si(2), and one Si(4) atom. In the fourth N site, N(4) is bonded in a distorted bent 120 degrees geometry to one Nd(3), two equivalent Nd(1), one Si(1), and one Si(5) atom. In the fifth N site, N(5) is bonded to one Nd(2), one Nd(3), one Al(1), and one Si(4) atom to form distorted NNd2AlSi trigonal pyramids that share  a cornercorner with one N(6)Nd2Si2 trigonal pyramid,  a cornercorner with one N(7)Nd2Si2 trigonal pyramid,  an edgeedge with one N(8)Nd2AlSi trigonal pyramid, and  an edgeedge with one N(7)Nd2Si2 trigonal pyramid. In the sixth N site, N(6) is bonded to one Nd(1), one Nd(3), one Si(3), and one Si(5) atom to form distorted NNd2Si2 trigonal pyramids that share  a cornercorner with one N(5)Nd2AlSi trigonal pyramid,  a cornercorner with one N(8)Nd2AlSi trigonal pyramid,  an edgeedge with one N(8)Nd2AlSi trigonal pyramid, and  an edgeedge with one N(7)Nd2Si2 trigonal pyramid. In the seventh N site, N(7) is bonded to one Nd(2), one Nd(3), one Si(3), and one Si(4) atom to form distorted NNd2Si2 trigonal pyramids that share  a cornercorner with one N(5)Nd2AlSi trigonal pyramid,  a cornercorner with one N(8)Nd2AlSi trigonal pyramid,  an edgeedge with one N(5)Nd2AlSi trigonal pyramid, and  an edgeedge with one N(6)Nd2Si2 trigonal pyramid. In the eighth N site, N(8) is bonded to one Nd(1), one Nd(3), one Al(1), and one Si(5) atom to form distorted NNd2AlSi trigonal pyramids that share  a cornercorner with one N(6)Nd2Si2 trigonal pyramid,  a cornercorner with one N(7)Nd2Si2 trigonal pyramid,  an edgeedge with one N(5)Nd2AlSi trigonal pyramid, and  an edgeedge with one N(6)Nd2Si2 trigonal pyramid. In the ninth N site, N(9) is bonded in a distorted trigonal planar geometry to one Nd(1), one Al(1), one Si(1), and one Si(5) atom. In the tenth N site, N(10) is bonded in a trigonal planar geometry to one Nd(2), one Si(2), one Si(3), and one Si(4) atom. O(1) is bonded in a distorted linear geometry to one Nd(1), one Nd(2), one Si(1), and one Si(2) atom.