Materials Data on RbC2N3 by Materials Project

Abstract

RbC2N3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Rb–N bond distances ranging from 3.05–3.46 Å. In the second Rb1+ site, Rb1+ is bonded to seven N3- atoms to form distorted edge-sharing RbN7 pentagonal bipyramids. There are a spread of Rb–N bond distances ranging from 3.03–3.20 Å. In the third Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Rb–N bond distances ranging from 3.06–3.40 Å. In the fourth Rb1+ site, Rb1+ is bonded to seven N3- atoms to form distorted edge-sharing RbN7 pentagonal bipyramids. There are a spread of Rb–N bond distances ranging from 3.02–3.18 Å. In the fifth Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Rb–N bond distances ranging from 3.06–3.43 Å. In the sixth Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Rb–N bond distances ranging from 3.06–3.41 Å. In the seventh Rb1+ site, Rb1+ is bonded to seven N3- atoms to form distorted edge-sharing RbN7 pentagonal bipyramids. There are a spread of Rb–N bond distances ranging from 3.04–3.19 Å. In the eighth Rb1+ site, Rb1+ is bonded to seven N3- atoms to form distorted edge-sharing RbN7 pentagonal bipyramids. There are a spread of Rb–N bond distances ranging from 3.02–3.21 Å. There are sixteen inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the third C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the fourth C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the fifth C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the sixth C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the seventh C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the eighth C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the ninth C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the tenth C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the eleventh C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the twelfth C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the thirteenth C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.19 Å) and one longer (1.30 Å) C–N bond length. In the fourteenth C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the fifteenth C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. In the sixteenth C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. There are twenty-four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 120 degrees geometry to one Rb1+ and two C4+ atoms. In the second N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the third N3- site, N3- is bonded in a distorted single-bond geometry to two Rb1+ and one C4+ atom. In the fourth N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the fifth N3- site, N3- is bonded in a distorted bent 120 degrees geometry to two Rb1+ and two C4+ atoms. In the sixth N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the seventh N3- site, N3- is bonded in a distorted single-bond geometry to two Rb1+ and one C4+ atom. In the eighth N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the ninth N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the tenth N3- site, N3- is bonded in a distorted bent 120 degrees geometry to two Rb1+ and two C4+ atoms. In the eleventh N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the twelfth N3- site, N3- is bonded in a distorted bent 120 degrees geometry to two Rb1+ and two C4+ atoms. In the thirteenth N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the fourteenth N3- site, N3- is bonded in a distorted single-bond geometry to two Rb1+ and one C4+ atom. In the fifteenth N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the sixteenth N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the seventeenth N3- site, N3- is bonded in a distorted bent 120 degrees geometry to one Rb1+ and two C4+ atoms. In the eighteenth N3- site, N3- is bonded in a distorted bent 120 degrees geometry to one Rb1+ and two C4+ atoms. In the nineteenth N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the twentieth N3- site, N3- is bonded in a distorted single-bond geometry to two Rb1+ and one C4+ atom. In the twenty-first N3- site, N3- is bonded in a distorted bent 120 degrees geometry to two Rb1+ and two C4+ atoms. In the twenty-second N3- site, N3- is bonded in a distorted bent 120 degrees geometry to one Rb1+ and two C4+ atoms. In the twenty-third N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the twenty-fourth N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom.