DOI: 10.17188/1748726
title: Materials Data on Si2TeH22Pd(C4Cl)2 by Materials Project

description: PdSi2H22Te(C4Cl)2 is alpha Niobium phosphide-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four PdSi2H22Te(C4Cl)2 clusters. In one of the PdSi2H22Te(C4Cl)2 clusters, Pd2+ is bonded in a distorted square co-planar geometry to one Te2- and three Cl1- atoms. The Pd–Te bond length is 2.55 Å. There are a spread of Pd–Cl bond distances ranging from 2.32–2.47 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 is three shorter (1.88 Å) and one longer (1.91 Å) Si–C bond length. 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 1.88–1.91 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 2.17 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 2.16 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 2-coordinate geometry to one Pd2+ and two C+3.50- atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Pd2+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Pd2+ atom. In one of the PdSi2H22Te(C4Cl)2 clusters, Pd2+ is bonded in a distorted square co-planar geometry to one Te2- and three Cl1- atoms. The Pd–Te bond length is 2.55 Å. There are a spread of Pd–Cl bond distances ranging from 2.32–2.47 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 is three shorter (1.88 Å) and one longer (1.91 Å) Si–C bond length. In the second Si4+ site, Si4+ is bonded in a tetrahedral geometry to four C+3.50- atoms. There is three shorter (1.88 Å) and one longer (1.91 Å) Si–C bond length. 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 2.16 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 2.16 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-one 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. Te2- is bonded in a 2-coordinate geometry to one Pd2+ and two C+3.50- atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Pd2+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Pd2+ atom. In one of the PdSi2H22Te(C4Cl)2 clusters, Pd2+ is bonded in a distorted square co-planar geometry to one Te2- and three Cl1- atoms. The Pd–Te bond length is 2.54 Å. There are a spread of Pd–Cl bond distances ranging from 2.32–2.46 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 is three shorter (1.88 Å) and one longer (1.91 Å) Si–C bond length. In the second Si4+ site, Si4+ is bonded in a tetrahedral geometry to four C+3.50- atoms. There is three shorter (1.88 Å) and one longer (1.91 Å) Si–C bond length. There are eight inequivalent C+3.50- sites. In the first 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 second 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 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+, 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 2.17 Å. In the eighth 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 2.16 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 eight