Materials Data on CsC15 by Materials Project
CsC15 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to twenty-two C+0.07- atoms. There are a spread of Cs–C bond distances ranging from 3.61–3.72 Å. In the second Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to eighteen C+0.07- atoms. There are a spread of Cs–C bond distances ranging from 3.36–3.78 Å. There are nine inequivalent C+0.07- sites. In the first C+0.07- site, C+0.07- is bonded in a distorted trigonal planar geometry to one Cs1+ and three C+0.07- atoms. There is one shorter (1.43 Å) and two longer (1.45 Å) C–C bond length. In the second C+0.07- site, C+0.07- is bonded in a distorted trigonal planar geometry to one Cs1+ and three C+0.07- atoms. There are a spread of C–C bond distances ranging from 1.42–1.46 Å. In the third C+0.07- site, C+0.07- is bonded in a 4-coordinate geometry to one Cs1+ and three C+0.07- atoms. There is one shorter (1.42 Å) and two longer (1.45 Å) C–C bond length. In the fourth C+0.07- site, C+0.07- is bonded in a distorted trigonal planar geometry to two equivalent Cs1+ and three C+0.07- atoms. The C–C bond length is 1.41 Å. In the fifth C+0.07- site, C+0.07- is bonded in a distorted trigonal planar geometry to two Cs1+ and three C+0.07- atoms. There is one shorter (1.43 Å) and one longer (1.45 Å) C–C bond length. In the sixth C+0.07- site, C+0.07- is bonded in a distorted trigonal planar geometry to two Cs1+ and three C+0.07- atoms. There is one shorter (1.44 Å) and one longer (1.46 Å) C–C bond length. In the seventh C+0.07- site, C+0.07- is bonded in a 3-coordinate geometry to one Cs1+ and three C+0.07- atoms. The C–C bond length is 1.45 Å. In the eighth C+0.07- site, C+0.07- is bonded in a distorted trigonal planar geometry to one Cs1+ and three C+0.07- atoms. There is one shorter (1.41 Å) and one longer (1.46 Å) C–C bond length. In the ninth C+0.07- site, C+0.07- is bonded in a distorted trigonal planar geometry to one Cs1+ and three C+0.07- atoms.