Materials Data on SiC by Materials Project

SiC is Moissanite-6H-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are thirteen inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four C4- atoms to form corner-sharing SiC4 tetrahedra. There is three shorter (1.89 Å) and one longer (1.90 Å) Si–C bond length. In the second Si4+ site, Si4+ is bonded to four C4- atoms to form corner-sharing SiC4 tetrahedra. All Si–C bond lengths are 1.90 Å. In the third Si4+ site, Si4+ is bonded to four C4- atoms to form corner-sharing SiC4 tetrahedra. There is three shorter (1.89 Å) and one longer (1.91 Å) Si–C bond length. In the fourth Si4+ site, Si4+ is bonded to four C4- atoms to form corner-sharing SiC4 tetrahedra. There is three shorter (1.89 Å) and one longer (1.90 Å) Si–C bond length. In the fifth Si4+ site, Si4+ is bonded to four C4- atoms to form corner-sharing SiC4 tetrahedra. All Si–C bond lengths are 1.89 Å. In the sixth Si4+ site, Si4+ is bonded to four C4- atoms to form corner-sharing SiC4 tetrahedra. There is three shorter (1.89 Å) and one longer (1.90 Å) Si–C bond length. In the seventh Si4+ site, Si4+ is bonded to four C4- atoms to form corner-sharing SiC4 tetrahedra. There is three shorter (1.89 Å) and one longer (1.90 Å) Si–C bond length. In the eighth Si4+ site, Si4+ is bonded to four C4- atoms to form corner-sharing SiC4 tetrahedra. There is three shorter (1.89 Å) and one longer (1.90 Å) Si–C bond length. In the ninth Si4+ site, Si4+ is bonded to four C4- atoms to form corner-sharing SiC4 tetrahedra. There is three shorter (1.89 Å) and one longer (1.90 Å) Si–C bond length. In the tenth Si4+ site, Si4+ is bonded to four C4- atoms to form corner-sharing SiC4 tetrahedra. There is three shorter (1.89 Å) and one longer (1.90 Å) Si–C bond length. In the eleventh Si4+ site, Si4+ is bonded to four C4- atoms to form corner-sharing SiC4 tetrahedra. There is three shorter (1.89 Å) and one longer (1.90 Å) Si–C bond length. In the twelfth Si4+ site, Si4+ is bonded to four C4- atoms to form corner-sharing SiC4 tetrahedra. There is three shorter (1.89 Å) and one longer (1.90 Å) Si–C bond length. In the thirteenth Si4+ site, Si4+ is bonded to four C4- atoms to form corner-sharing SiC4 tetrahedra. There is three shorter (1.89 Å) and one longer (1.91 Å) Si–C bond length. There are thirteen inequivalent C4- sites. In the first C4- site, C4- is bonded to four Si4+ atoms to form corner-sharing CSi4 tetrahedra. In the second C4- site, C4- is bonded to four Si4+ atoms to form corner-sharing CSi4 tetrahedra. In the third C4- site, C4- is bonded to four Si4+ atoms to form corner-sharing CSi4 tetrahedra. In the fourth C4- site, C4- is bonded to four Si4+ atoms to form corner-sharing CSi4 tetrahedra. In the fifth C4- site, C4- is bonded to four Si4+ atoms to form corner-sharing CSi4 tetrahedra. In the sixth C4- site, C4- is bonded to four Si4+ atoms to form corner-sharing CSi4 tetrahedra. All C–Si bond lengths are 1.89 Å. In the seventh C4- site, C4- is bonded to four Si4+ atoms to form corner-sharing CSi4 tetrahedra. In the eighth C4- site, C4- is bonded to four Si4+ atoms to form corner-sharing CSi4 tetrahedra. In the ninth C4- site, C4- is bonded to four Si4+ atoms to form corner-sharing CSi4 tetrahedra. In the tenth C4- site, C4- is bonded to four Si4+ atoms to form corner-sharing CSi4 tetrahedra. All C–Si bond lengths are 1.89 Å. In the eleventh C4- site, C4- is bonded to four Si4+ atoms to form corner-sharing CSi4 tetrahedra. In the twelfth C4- site, C4- is bonded to four Si4+ atoms to form corner-sharing CSi4 tetrahedra. In the thirteenth C4- site, C4- is bonded to four Si4+ atoms to form corner-sharing CSi4 tetrahedra.

碳化硅（SiC）具有类6H型莫桑石结构，结晶于三方晶系R3m空间群。该结构为三维周期性架构，共包含13种不等价Si⁴+格位。
在第1个Si⁴+格位中，Si⁴+与4个C⁴-原子成键，形成顶角共享的SiC₄四面体，其Si-C键长包含3条1.89 Å的短键与1条1.90 Å的长键。
在第2个Si⁴+格位中，Si⁴+与4个C⁴-原子成键，形成顶角共享的SiC₄四面体，所有Si-C键长均为1.90 Å。
在第3个Si⁴+格位中，Si⁴+与4个C⁴-原子成键，形成顶角共享的SiC₄四面体，其Si-C键长包含3条1.89 Å的短键与1条1.91 Å的长键。
在第4个Si⁴+格位中，Si⁴+与4个C⁴-原子成键，形成顶角共享的SiC₄四面体，其Si-C键长包含3条1.89 Å的短键与1条1.90 Å的长键。
在第5个Si⁴+格位中，Si⁴+与4个C⁴-原子成键，形成顶角共享的SiC₄四面体，所有Si-C键长均为1.89 Å。
第6至第10个、第11至第12个Si⁴+格位的配位环境一致：Si⁴+与4个C⁴-原子成键，形成顶角共享的SiC₄四面体，其Si-C键长包含3条1.89 Å的短键与1条1.90 Å的长键。
在第13个Si⁴+格位中，Si⁴+与4个C⁴-原子成键，形成顶角共享的SiC₄四面体，其Si-C键长包含3条1.89 Å的短键与1条1.91 Å的长键。
该体系共包含13种不等价C⁴-格位。
第1至第5个、第7至第9个、第11至第13个C⁴-格位中，C⁴-与4个Si⁴+原子成键，形成顶角共享的CSi₄四面体，未明确给出C-Si键长参数；在第6个与第10个C⁴-格位中，C⁴-与4个Si⁴+原子成键，形成顶角共享的CSi₄四面体，所有C-Si键长均为1.89 Å。