Materials Data on HC3 by Materials Project
C3H crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one C3H ribbon oriented in the (1, 0, 0) direction. there are six inequivalent C+0.33- sites. In the first C+0.33- site, C+0.33- is bonded in a distorted single-bond geometry to two equivalent C+0.33- and one H1+ atom. Both C–C bond lengths are 1.41 Å. The C–H bond length is 1.09 Å. In the second C+0.33- site, C+0.33- is bonded in a distorted single-bond geometry to two equivalent C+0.33- and one H1+ atom. Both C–C bond lengths are 1.41 Å. The C–H bond length is 1.09 Å. In the third C+0.33- site, C+0.33- is bonded in a trigonal planar geometry to three C+0.33- atoms. The C–C bond length is 1.45 Å. In the fourth C+0.33- site, C+0.33- is bonded in a trigonal planar geometry to three C+0.33- atoms. Both C–C bond lengths are 1.42 Å. In the fifth C+0.33- site, C+0.33- is bonded in a trigonal planar geometry to three C+0.33- atoms. The C–C bond length is 1.45 Å. In the sixth C+0.33- site, C+0.33- is bonded in a trigonal planar geometry to three C+0.33- atoms. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+0.33- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+0.33- atom.