DOI: 10.17188/1710850
title: Materials Data on Si4Te2H44Pt(C8Cl)2 by Materials Project

description: PtSi4H44Te2(C8Cl)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four PtSi4H44Te2(C8Cl)2 clusters. Pt2+ is bonded in a distorted square co-planar geometry to two equivalent Te2- and two equivalent Cl1- atoms. Both Pt–Te bond lengths are 2.66 Å. Both Pt–Cl bond lengths are 2.33 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a tetrahedral geometry to four C+3.50- atoms. There are a spread of Si–C bond distances ranging from 1.87–1.91 Å. In the second Si4+ site, Si4+ is bonded in a tetrahedral geometry to four C+3.50- atoms. There are a spread of Si–C bond distances ranging from 1.87–1.90 Å. There are eight inequivalent C+3.50- sites. In the first C+3.50- site, C+3.50- is bonded to one Si4+, two H1+, and one Te2- atom to form distorted corner-sharing CSiTeH2 tetrahedra. Both C–H bond lengths are 1.10 Å. The C–Te bond length is 2.18 Å. In the second C+3.50- site, C+3.50- is bonded to one Si4+, two H1+, and one Te2- atom to form distorted corner-sharing CSiTeH2 tetrahedra. Both C–H bond lengths are 1.10 Å. The C–Te bond length is 2.18 Å. In the third C+3.50- site, C+3.50- 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+3.50- site, C+3.50- 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+3.50- site, C+3.50- 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+3.50- site, C+3.50- 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+3.50- site, C+3.50- 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+3.50- site, C+3.50- 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 twenty-two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the thirteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the fourteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the fifteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the sixteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the seventeenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the eighteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the nineteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the twentieth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the twenty-first H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the twenty-second H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. Te2- is bonded in a distorted trigonal non-coplanar geometry to one Pt2+ and two C+3.50- atoms. Cl1- is bonded in a single-bond geometry to one Pt2+ atom.