DOI: 10.17188/1652191
title: Materials Data on Si4SnH35(C6N)2 by Materials Project

description: SnSi4H35(C6N)2 is gamma plutonium structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two SnSi4H35(C6N)2 clusters. there are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a trigonal non-coplanar geometry to one C+3.92- and two N3- atoms. The Sn–C bond length is 2.18 Å. There are one shorter (2.09 Å) and one longer (2.12 Å) Sn–N bond lengths. In the second Sn2+ site, Sn2+ is bonded in a trigonal non-coplanar geometry to one C+3.92- and two N3- atoms. The Sn–C bond length is 2.17 Å. There are one shorter (2.09 Å) and one longer (2.12 Å) Sn–N bond lengths. There are eight inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to three C+3.92- and one N3- atom to form corner-sharing SiC3N tetrahedra. There is one shorter (1.88 Å) and two longer (1.89 Å) Si–C bond length. The Si–N bond length is 1.76 Å. In the second Si4+ site, Si4+ is bonded to three C+3.92- and one N3- atom to form corner-sharing SiC3N tetrahedra. There is one shorter (1.88 Å) and two longer (1.89 Å) Si–C bond length. The Si–N bond length is 1.77 Å. In the third Si4+ site, Si4+ is bonded to three C+3.92- and one N3- atom to form corner-sharing SiC3N tetrahedra. There is two shorter (1.88 Å) and one longer (1.89 Å) Si–C bond length. The Si–N bond length is 1.77 Å. In the fourth Si4+ site, Si4+ is bonded to three C+3.92- and one N3- atom to form corner-sharing SiC3N tetrahedra. There is one shorter (1.88 Å) and two longer (1.89 Å) Si–C bond length. The Si–N bond length is 1.77 Å. In the fifth Si4+ site, Si4+ is bonded to three C+3.92- and one N3- atom to form corner-sharing SiC3N tetrahedra. There is one shorter (1.88 Å) and two longer (1.89 Å) Si–C bond length. The Si–N bond length is 1.76 Å. In the sixth Si4+ site, Si4+ is bonded to three C+3.92- and one N3- atom to form corner-sharing SiC3N tetrahedra. There are a spread of Si–C bond distances ranging from 1.88–1.91 Å. The Si–N bond length is 1.77 Å. In the seventh Si4+ site, Si4+ is bonded to three C+3.92- and one N3- atom to form corner-sharing SiC3N tetrahedra. There are a spread of Si–C bond distances ranging from 1.88–1.90 Å. The Si–N bond length is 1.76 Å. In the eighth Si4+ site, Si4+ is bonded to three C+3.92- and one N3- atom to form corner-sharing SiC3N tetrahedra. There is two shorter (1.89 Å) and one longer (1.91 Å) Si–C bond length. The Si–N bond length is 1.76 Å. There are twenty-four inequivalent C+3.92- sites. In the first C+3.92- site, C+3.92- is bonded to one Sn2+, one Si4+, and two H1+ atoms to form distorted corner-sharing CSiSnH2 tetrahedra. Both C–H bond lengths are 1.10 Å. In the second C+3.92- site, C+3.92- is bonded to one Sn2+, one Si4+, and two H1+ atoms to form distorted corner-sharing CSiSnH2 tetrahedra. Both C–H bond lengths are 1.10 Å. In the third C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the fourth C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the fifth C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form distorted corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the sixth C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the seventh C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the eighth C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the ninth C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the tenth C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the eleventh C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the twelfth C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the thirteenth C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form distorted corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the fourteenth C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the fifteenth C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the sixteenth C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form distorted corner-sharing CSiH3 tetrahedra. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. In the seventeenth C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the eighteenth C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the nineteenth C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the twentieth C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the twenty-first C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form distorted corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the twenty-second C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form distorted corner-sharing CSiH3 tetrahedra. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. In the twenty-third C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the twenty-fourth C+3.92- site, C+3.92- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one Sn2+ and two Si4+ atoms. In the second N3- site, N3- is bonded in a trigonal planar geometry to one Sn2+ and two Si4+ atoms. In the third N3- site, N3- is bonded in a trigonal planar geometry to one Sn2+ and two Si4+ atoms. In the fourth N3- site, N3- is bonded in a trigonal planar geometry to one Sn2+ and two Si4+ atoms. There are seventy inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the thirteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the fourteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the fifteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the sixteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the seventeenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the eighteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the nineteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the twentieth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the twenty-first H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the twenty-second H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the twenty-third H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the twenty-fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the twenty-fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the twenty-sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the twenty-seventh H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the twenty-eighth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the twenty-ninth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the thirtieth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the thirty-first H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the thirty-second H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the thirty-third H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the thirty-fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the thirty-fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the thirty-sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the thirty-seventh H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the thirty-eighth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the thirty-ninth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the fortieth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the forty-first H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the forty-second H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the forty-third H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the forty-fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the forty-fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the forty-sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the forty-seventh H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the forty-eighth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the forty-ninth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the fiftieth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the fifty-first H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the fifty-second H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the fifty-third H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the fifty-fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the fifty-fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the fifty-sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the fifty-seventh H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92- atom. In the fifty-eighth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.92-