Materials Data on V2(B24C)3 by Materials Project

(VB4C)2(B)60B4C crystallizes in the orthorhombic P222 space group. The structure is one-dimensional and consists of one hundred and twenty boron molecules; two tetraborylmethane molecules; and four VB4C ribbons oriented in the (1, 0, 0) direction. In each VB4C ribbon, V3+ is bonded in a linear geometry to two equivalent C4- atoms. Both V–C bond lengths are 2.51 Å. There are two inequivalent B+0.08+ sites. In the first B+0.08+ site, B+0.08+ is bonded in a single-bond geometry to one C4- atom. The B–C bond length is 1.64 Å. In the second B+0.08+ site, B+0.08+ is bonded in a single-bond geometry to one C4- atom. The B–C bond length is 1.64 Å. C4- is bonded in a 4-coordinate geometry to two equivalent V3+ and four B+0.08+ atoms.

(VB₄C)₂(B)₆₀B₄C晶体结晶于正交晶系P222空间群。该结构为一维结构，包含120个硼分子、2个四硼基甲烷(tetraborylmethane)分子，以及4条沿(1, 0, 0)方向延伸的VB₄C带。在每条VB₄C带中，V³+以线性配位几何构型与2个等价的C⁴-原子成键，V-C键长均为2.51 Å。存在两个不等价的B+0.08+位点：在第一个B+0.08+位点中，B+0.08+以单键配位几何构型与1个C⁴-原子成键，B-C键长为1.64 Å；在第二个B+0.08+位点中，B+0.08+同样以单键配位几何构型与1个C⁴-原子成键，B-C键长亦为1.64 Å。C⁴-为四配位几何构型，与2个等价的V³+以及4个B+0.08+原子成键。