Materials Data on HC6 by Materials Project
C6H crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one C6H ribbon oriented in the (1, 0, 0) direction. there are six inequivalent C+0.17- sites. In the first C+0.17- site, C+0.17- is bonded in a trigonal planar geometry to three C+0.17- atoms. There are a spread of C–C bond distances ranging from 1.40–1.44 Å. In the second C+0.17- site, C+0.17- is bonded in a trigonal planar geometry to three C+0.17- atoms. There are a spread of C–C bond distances ranging from 1.42–1.44 Å. In the third C+0.17- site, C+0.17- is bonded in a trigonal planar geometry to three C+0.17- atoms. There is two shorter (1.42 Å) and one longer (1.43 Å) C–C bond length. In the fourth C+0.17- site, C+0.17- is bonded in a distorted single-bond geometry to two equivalent C+0.17- and one H1+ atom. The C–H bond length is 1.09 Å. In the fifth C+0.17- site, C+0.17- is bonded in a trigonal planar geometry to three C+0.17- atoms. In the sixth C+0.17- site, C+0.17- is bonded in a trigonal planar geometry to three C+0.17- atoms. H1+ is bonded in a single-bond geometry to one C+0.17- atom.