Si3NCl9 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two Si3NCl9 clusters. In one of the Si3NCl9 clusters, there are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one N(1), one Cl(13), one Cl(3), and one Cl(9) atom to form corner-sharing SiNCl3 tetrahedra. In the second Si site, Si(4) is bonded to one N(1), one Cl(1), one Cl(11), and one Cl(15) atom to form corner-sharing SiNCl3 tetrahedra. In the third Si site, Si(5) is bonded to one N(1), one Cl(17), one Cl(5), and one Cl(7) atom to form corner-sharing SiNCl3 tetrahedra. N(1) is bonded in a trigonal planar geometry to one Si(1), one Si(4), and one Si(5) atom. There are nine inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Si(4) atom. In the second Cl site, Cl(3) is bonded in a single-bond geometry to one Si(1) atom. In the third Cl site, Cl(5) is bonded in a single-bond geometry to one Si(5) atom. In the fourth Cl site, Cl(7) is bonded in a single-bond geometry to one Si(5) atom. In the fifth Cl site, Cl(9) is bonded in a single-bond geometry to one Si(1) atom. In the sixth Cl site, Cl(11) is bonded in a single-bond geometry to one Si(4) atom. In the seventh Cl site, Cl(13) is bonded in a single-bond geometry to one Si(1) atom. In the eighth Cl site, Cl(15) is bonded in a single-bond geometry to one Si(4) atom. In the ninth Cl site, Cl(17) is bonded in a single-bond geometry to one Si(5) atom. In one of the Si3NCl9 clusters, there are three inequivalent Si sites. In the first Si site, Si(2) is bonded to one N(2), one Cl(10), one Cl(14), and one Cl(8) atom to form corner-sharing SiNCl3 tetrahedra. In the second Si site, Si(3) is bonded to one N(2), one Cl(16), one Cl(2), and one Cl(4) atom to form corner-sharing SiNCl3 tetrahedra. In the third Si site, Si(6) is bonded to one N(2), one Cl(12), one Cl(18), and one Cl(6) atom to form corner-sharing SiNCl3 tetrahedra. N(2) is bonded in a trigonal planar geometry to one Si(2), one Si(3), and one Si(6) atom. There are nine inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a single-bond geometry to one Si(3) atom. In the second Cl site, Cl(4) is bonded in a single-bond geometry to one Si(3) atom. In the third Cl site, Cl(6) is bonded in a single-bond geometry to one Si(6) atom. In the fourth Cl site, Cl(8) is bonded in a single-bond geometry to one Si(2) atom. In the fifth Cl site, Cl(10) is bonded in a single-bond geometry to one Si(2) atom. In the sixth Cl site, Cl(12) is bonded in a single-bond geometry to one Si(6) atom. In the seventh Cl site, Cl(14) is bonded in a single-bond geometry to one Si(2) atom. In the eighth Cl site, Cl(16) is bonded in a single-bond geometry to one Si(3) atom. In the ninth Cl site, Cl(18) is bonded in a single-bond geometry to one Si(6) atom.
Si3NCl9 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two Si3NCl9 clusters. In one of the Si3NCl9 clusters, there are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one N(1), one Cl(13), one Cl(3), and one Cl(9) atom to form corner-sharing SiNCl3 tetrahedra. The Si(1)-N(1) bond length is 1.76 Å. The Si(1)-Cl(13) bond length is 2.04 Å. The Si(1)-Cl(3) bond length is 2.04 Å. The Si(1)-Cl(9) bond length is 2.04 Å. In the second Si site, Si(4) is bonded to one N(1), one Cl(1), one Cl(11), and one Cl(15) atom to form corner-sharing SiNCl3 tetrahedra. The Si(4)-N(1) bond length is 1.76 Å. The Si(4)-Cl(1) bond length is 2.04 Å. The Si(4)-Cl(11) bond length is 2.05 Å. The Si(4)-Cl(15) bond length is 2.04 Å. In the third Si site, Si(5) is bonded to one N(1), one Cl(17), one Cl(5), and one Cl(7) atom to form corner-sharing SiNCl3 tetrahedra. The Si(5)-N(1) bond length is 1.76 Å. The Si(5)-Cl(17) bond length is 2.04 Å. The Si(5)-Cl(5) bond length is 2.04 Å. The Si(5)-Cl(7) bond length is 2.04 Å. N(1) is bonded in a trigonal planar geometry to one Si(1), one Si(4), and one Si(5) atom. There are nine inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Si(4) atom. In the second Cl site, Cl(3) is bonded in a single-bond geometry to one Si(1) atom. In the third Cl site, Cl(5) is bonded in a single-bond geometry to one Si(5) atom. In the fourth Cl site, Cl(7) is bonded in a single-bond geometry to one Si(5) atom. In the fifth Cl site, Cl(9) is bonded in a single-bond geometry to one Si(1) atom. In the sixth Cl site, Cl(11) is bonded in a single-bond geometry to one Si(4) atom. In the seventh Cl site, Cl(13) is bonded in a single-bond geometry to one Si(1) atom. In the eighth Cl site, Cl(15) is bonded in a single-bond geometry to one Si(4) atom. In the ninth Cl site, Cl(17) is bonded in a single-bond geometry to one Si(5) atom. In one of the Si3NCl9 clusters, there are three inequivalent Si sites. In the first Si site, Si(2) is bonded to one N(2), one Cl(10), one Cl(14), and one Cl(8) atom to form corner-sharing SiNCl3 tetrahedra. The Si(2)-N(2) bond length is 1.76 Å. The Si(2)-Cl(10) bond length is 2.04 Å. The Si(2)-Cl(14) bond length is 2.04 Å. The Si(2)-Cl(8) bond length is 2.04 Å. In the second Si site, Si(3) is bonded to one N(2), one Cl(16), one Cl(2), and one Cl(4) atom to form corner-sharing SiNCl3 tetrahedra. The Si(3)-N(2) bond length is 1.76 Å. The Si(3)-Cl(16) bond length is 2.04 Å. The Si(3)-Cl(2) bond length is 2.04 Å. The Si(3)-Cl(4) bond length is 2.04 Å. In the third Si site, Si(6) is bonded to one N(2), one Cl(12), one Cl(18), and one Cl(6) atom to form corner-sharing SiNCl3 tetrahedra. The Si(6)-N(2) bond length is 1.76 Å. The Si(6)-Cl(12) bond length is 2.04 Å. The Si(6)-Cl(18) bond length is 2.04 Å. The Si(6)-Cl(6) bond length is 2.04 Å. N(2) is bonded in a trigonal planar geometry to one Si(2), one Si(3), and one Si(6) atom. There are nine inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a single-bond geometry to one Si(3) atom. In the second Cl site, Cl(4) is bonded in a single-bond geometry to one Si(3) atom. In the third Cl site, Cl(6) is bonded in a single-bond geometry to one Si(6) atom. In the fourth Cl site, Cl(8) is bonded in a single-bond geometry to one Si(2) atom. In the fifth Cl site, Cl(10) is bonded in a single-bond geometry to one Si(2) atom. In the sixth Cl site, Cl(12) is bonded in a single-bond geometry to one Si(6) atom. In the seventh Cl site, Cl(14) is bonded in a single-bond geometry to one Si(2) atom. In the eighth Cl site, Cl(16) is bonded in a single-bond geometry to one Si(3) atom. In the ninth Cl site, Cl(18) is bonded in a single-bond geometry to one Si(6) atom.