Materials Data on Si8C3 by Materials Project

Si8C3 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four Si8C3 clusters. In two of the Si8C3 clusters, there are eight inequivalent Si1+ sites. In the first Si1+ site, Si1+ is bonded in a single-bond geometry to one C+2.67- atom. The Si–C bond length is 1.91 Å. In the second Si1+ site, Si1+ is bonded in an L-shaped geometry to two C+2.67- atoms. There is one shorter (1.89 Å) and one longer (1.91 Å) Si–C bond length. In the third Si1+ site, Si1+ is bonded in an L-shaped geometry to two C+2.67- atoms. There is one shorter (1.91 Å) and one longer (1.96 Å) Si–C bond length. In the fourth Si1+ site, Si1+ is bonded in a single-bond geometry to one C+2.67- atom. The Si–C bond length is 1.93 Å. In the fifth Si1+ site, Si1+ is bonded in a single-bond geometry to one C+2.67- atom. The Si–C bond length is 1.86 Å. In the sixth Si1+ site, Si1+ is bonded in an L-shaped geometry to two C+2.67- atoms. There is one shorter (1.90 Å) and one longer (1.91 Å) Si–C bond length. In the seventh Si1+ site, Si1+ is bonded in an L-shaped geometry to two C+2.67- atoms. There is one shorter (1.96 Å) and one longer (2.02 Å) Si–C bond length. In the eighth Si1+ site, Si1+ is bonded in a single-bond geometry to one C+2.67- atom. The Si–C bond length is 1.94 Å. There are three inequivalent C+2.67- sites. In the first C+2.67- site, C+2.67- is bonded in a rectangular see-saw-like geometry to four Si1+ atoms. In the second C+2.67- site, C+2.67- is bonded in a rectangular see-saw-like geometry to four Si1+ atoms. In the third C+2.67- site, C+2.67- is bonded in a rectangular see-saw-like geometry to four Si1+ atoms. In two of the Si8C3 clusters, there are eight inequivalent Si1+ sites. In the first Si1+ site, Si1+ is bonded in a single-bond geometry to one C+2.67- atom. The Si–C bond length is 1.93 Å. In the second Si1+ site, Si1+ is bonded in an L-shaped geometry to two C+2.67- atoms. There is one shorter (1.91 Å) and one longer (1.92 Å) Si–C bond length. In the third Si1+ site, Si1+ is bonded in an L-shaped geometry to two C+2.67- atoms. There is one shorter (1.93 Å) and one longer (1.94 Å) Si–C bond length. In the fourth Si1+ site, Si1+ is bonded in a single-bond geometry to one C+2.67- atom. The Si–C bond length is 1.86 Å. In the fifth Si1+ site, Si1+ is bonded in a single-bond geometry to one C+2.67- atom. The Si–C bond length is 1.87 Å. In the sixth Si1+ site, Si1+ is bonded in an L-shaped geometry to two C+2.67- atoms. There is one shorter (1.90 Å) and one longer (2.08 Å) Si–C bond length. In the seventh Si1+ site, Si1+ is bonded in an L-shaped geometry to two C+2.67- atoms. There is one shorter (1.89 Å) and one longer (1.92 Å) Si–C bond length. In the eighth Si1+ site, Si1+ is bonded in a single-bond geometry to one C+2.67- atom. The Si–C bond length is 1.92 Å. There are three inequivalent C+2.67- sites. In the first C+2.67- site, C+2.67- is bonded in a distorted tetrahedral geometry to four Si1+ atoms. In the second C+2.67- site, C+2.67- is bonded in a distorted rectangular see-saw-like geometry to four Si1+ atoms. In the third C+2.67- site, C+2.67- is bonded in a tetrahedral geometry to four Si1+ atoms.

Si₈C₃ 结晶于三斜晶系P-1空间群，其结构为零维，由4个Si₈C₃团簇构成。在其中2个Si₈C₃团簇内，存在8个不等价的Si¹⁺位点：第1个Si¹⁺位点中，Si¹⁺以单键配位几何与1个C⁺2.67⁻原子成键，Si-C键长为1.91 Å；第2个Si¹⁺位点中，Si¹⁺以L形配位几何与2个C⁺2.67⁻原子成键，Si-C键长分别为1.89 Å（较短）与1.91 Å（较长）；第3个Si¹⁺位点中，Si¹⁺以L形配位几何与2个C⁺2.67⁻原子成键，Si-C键长分别为1.91 Å（较短）与1.96 Å（较长）；第4个Si¹⁺位点中，Si¹⁺以单键配位几何与1个C⁺2.67⁻原子成键，Si-C键长为1.93 Å；第5个Si¹⁺位点中，Si¹⁺以单键配位几何与1个C⁺2.67⁻原子成键，Si-C键长为1.86 Å；第6个Si¹⁺位点中，Si¹⁺以L形配位几何与2个C⁺2.67⁻原子成键，Si-C键长分别为1.90 Å（较短）与1.91 Å（较长）；第7个Si¹⁺位点中，Si¹⁺以L形配位几何与2个C⁺2.67⁻原子成键，Si-C键长分别为1.96 Å（较短）与2.02 Å（较长）；第8个Si¹⁺位点中，Si¹⁺以单键配位几何与1个C⁺2.67⁻原子成键，Si-C键长为1.94 Å。该团簇内存在3个不等价的C⁺2.67⁻位点：第1个C⁺2.67⁻位点中，C⁺2.67⁻以矩形跷跷板型配位几何与4个Si¹⁺原子成键；第2个C⁺2.67⁻位点中，C⁺2.67⁻以矩形跷跷板型配位几何与4个Si¹⁺原子成键；第3个C⁺2.67⁻位点中，C⁺2.67⁻以矩形跷跷板型配位几何与4个Si¹⁺原子成键。在另外2个Si₈C₃团簇内，同样存在8个不等价的Si¹⁺位点：第1个Si¹⁺位点中，Si¹⁺以单键配位几何与1个C⁺2.67⁻原子成键，Si-C键长为1.93 Å；第2个Si¹⁺位点中，Si¹⁺以L形配位几何与2个C⁺2.67⁻原子成键，Si-C键长分别为1.91 Å（较短）与1.92 Å（较长）；第3个Si¹⁺位点中，Si¹⁺以L形配位几何与2个C⁺2.67⁻原子成键，Si-C键长分别为1.93 Å（较短）与1.94 Å（较长）；第4个Si¹⁺位点中，Si¹⁺以单键配位几何与1个C⁺2.67⁻原子成键，Si-C键长为1.86 Å；第5个Si¹⁺位点中，Si¹⁺以单键配位几何与1个C⁺2.67⁻原子成键，Si-C键长为1.87 Å；第6个Si¹⁺位点中，Si¹⁺以L形配位几何与2个C⁺2.67⁻原子成键，Si-C键长分别为1.90 Å（较短）与2.08 Å（较长）；第7个Si¹⁺位点中，Si¹⁺以L形配位几何与2个C⁺2.67⁻原子成键，Si-C键长分别为1.89 Å（较短）与1.92 Å（较长）；第8个Si¹⁺位点中，Si¹⁺以单键配位几何与1个C⁺2.67⁻原子成键，Si-C键长为1.92 Å。该团簇内存在3个不等价的C⁺2.67⁻位点：第1个C⁺2.67⁻位点中，C⁺2.67⁻以畸变四面体配位几何与4个Si¹⁺原子成键；第2个C⁺2.67⁻位点中，C⁺2.67⁻以畸变矩形跷跷板型配位几何与4个Si¹⁺原子成键；第3个C⁺2.67⁻位点中，C⁺2.67⁻以四面体配位几何与4个Si¹⁺原子成键。