DOI: 10.17188/1683082
title: Materials Data on InSi4H41C15O by Materials Project

description: InSi4C15H41O is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two InSi4C15H41O clusters. In3+ is bonded to two C+3.87- and two equivalent O2- atoms to form distorted InC2O2 tetrahedra that share corners with two equivalent CH3O tetrahedra, corners with four SiC4 tetrahedra, and an edgeedge with one InC2O2 tetrahedra. There are one shorter (2.24 Å) and one longer (2.25 Å) In–C bond lengths. There are one shorter (2.21 Å) and one longer (2.24 Å) In–O bond lengths. There are four inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four C+3.87- atoms to form SiC4 tetrahedra that share a cornercorner with one InC2O2 tetrahedra and a cornercorner with one SiC4 tetrahedra. There are a spread of Si–C bond distances ranging from 1.88–1.90 Å. In the second Si4+ site, Si4+ is bonded to four C+3.87- atoms to form SiC4 tetrahedra that share a cornercorner with one InC2O2 tetrahedra and a cornercorner with one SiC4 tetrahedra. There is three shorter (1.89 Å) and one longer (1.90 Å) Si–C bond length. In the third Si4+ site, Si4+ is bonded to four C+3.87- atoms to form SiC4 tetrahedra that share a cornercorner with one InC2O2 tetrahedra and a cornercorner with one SiC4 tetrahedra. There are a spread of Si–C bond distances ranging from 1.88–1.90 Å. In the fourth Si4+ site, Si4+ is bonded to four C+3.87- atoms to form SiC4 tetrahedra that share a cornercorner with one InC2O2 tetrahedra and a cornercorner with one SiC4 tetrahedra. There is three shorter (1.88 Å) and one longer (1.90 Å) Si–C bond length. There are fifteen inequivalent C+3.87- sites. In the first C+3.87- site, C+3.87- is bonded to three H1+ and one O2- atom to form CH3O tetrahedra that share corners with two equivalent InC2O2 tetrahedra. All C–H bond lengths are 1.10 Å. The C–O bond length is 1.43 Å. In the second C+3.87- site, C+3.87- is bonded to one In3+, two Si4+, and one H1+ atom to form distorted corner-sharing CInSi2H tetrahedra. The C–H bond length is 1.11 Å. In the third C+3.87- site, C+3.87- 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+3.87- site, C+3.87- 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+3.87- site, C+3.87- 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 sixth C+3.87- site, C+3.87- 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+3.87- site, C+3.87- 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+3.87- site, C+3.87- 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+3.87- site, C+3.87- is bonded in a 4-coordinate geometry to one In3+, two Si4+, and one H1+ atom. The C–H bond length is 1.11 Å. In the tenth C+3.87- site, C+3.87- 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+3.87- site, C+3.87- 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+3.87- site, C+3.87- 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+3.87- site, C+3.87- 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 fourteenth C+3.87- site, C+3.87- 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+3.87- site, C+3.87- 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 forty-one inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the thirteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the fourteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the fifteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the sixteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the seventeenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the eighteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the nineteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the twentieth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the twenty-first H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the twenty-second H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the twenty-third H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the twenty-fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the twenty-fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the twenty-sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the twenty-seventh H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the twenty-eighth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the twenty-ninth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the thirtieth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the thirty-first H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the thirty-second H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the thirty-third H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the thirty-fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the thirty-fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the thirty-sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the thirty-seventh H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the thirty-eighth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the thirty-ninth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the fortieth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. In the forty-first H1+ site, H1+ is bonded in a single-bond geometry to one C+3.87- atom. O2- is bonded in a distorted trigonal planar geometry to two equivalent In3+ and one C+3.87- atom.