The material described by RbC2N3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 7-coordinate geometry to one N(2), one N(3), one N(4), one N(5), one N(6), and two equivalent N(1) atoms. In the second Rb site, Rb(2) is bonded in a 7-coordinate geometry to one N(1), one N(2), one N(4), two equivalent N(3), and two equivalent N(6) atoms. There are four inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one N(1) and one N(2) atom. In the second C site, C(2) is bonded in a linear geometry to one N(2) and one N(3) atom. In the third C site, C(3) is bonded in a linear geometry to one N(4) and one N(5) atom. In the fourth C site, C(4) is bonded in a linear geometry to one N(5) and one N(6) atom. There are six inequivalent N sites. In the first N site, N(5) is bonded in a distorted bent 120 degrees geometry to one Rb(1), one C(3), and one C(4) atom. In the second N site, N(6) is bonded in a distorted single-bond geometry to one Rb(1), two equivalent Rb(2), and one C(4) atom. In the third N site, N(4) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(2), and one C(3) atom. In the fourth N site, N(1) is bonded in a distorted single-bond geometry to one Rb(2), two equivalent Rb(1), and one C(1) atom. In the fifth N site, N(2) is bonded in a distorted bent 120 degrees geometry to one Rb(1), one Rb(2), one C(1), and one C(2) atom. In the sixth N site, N(3) is bonded in a distorted single-bond geometry to one Rb(1), two equivalent Rb(2), and one C(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbC2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.668
_cell_length_b   8.668
_cell_length_c   14.624
_cell_angle_alpha   68.569
_cell_angle_beta   68.569
_cell_angle_gamma   71.987
_symmetry_Int_Tables_number   1
_cell_volume   932.342
_cell_formula_units_Z   8
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Rb  Rb0  1  0.840  0.829  0.371  1.0
  Rb  Rb1  1  0.171  0.160  0.129  1.0
  Rb  Rb2  1  0.160  0.171  0.629  1.0
  Rb  Rb3  1  0.829  0.840  0.871  1.0
  Rb  Rb4  1  0.661  0.301  0.086  1.0
  Rb  Rb5  1  0.699  0.339  0.414  1.0
  Rb  Rb6  1  0.339  0.699  0.914  1.0
  Rb  Rb7  1  0.301  0.661  0.586  1.0
  C  C8  1  0.932  0.842  0.109  1.0
  C  C9  1  0.158  0.068  0.391  1.0
  C  C10  1  0.068  0.158  0.891  1.0
  C  C11  1  0.842  0.932  0.609  1.0
  C  C12  1  0.893  0.584  0.123  1.0
  C  C13  1  0.416  0.107  0.377  1.0
  C  C14  1  0.107  0.416  0.877  1.0
  C  C15  1  0.584  0.893  0.623  1.0
  C  C16  1  0.193  0.513  0.382  1.0
  C  C17  1  0.487  0.807  0.118  1.0
  C  C18  1  0.807  0.487  0.618  1.0
  C  C19  1  0.513  0.193  0.882  1.0
  C  C20  1  0.219  0.483  0.226  1.0
  C  C21  1  0.517  0.781  0.274  1.0
  C  C22  1  0.781  0.517  0.774  1.0
  C  C23  1  0.483  0.219  0.726  1.0
  N  N24  1  0.929  0.954  0.139  1.0
  N  N25  1  0.046  0.071  0.361  1.0
  N  N26  1  0.071  0.046  0.861  1.0
  N  N27  1  0.954  0.929  0.639  1.0
  N  N28  1  0.940  0.727  0.069  1.0
  N  N29  1  0.273  0.060  0.431  1.0
  N  N30  1  0.060  0.273  0.931  1.0
  N  N31  1  0.727  0.940  0.569  1.0
  N  N32  1  0.853  0.451  0.165  1.0
  N  N33  1  0.549  0.147  0.335  1.0
  N  N34  1  0.147  0.549  0.835  1.0
  N  N35  1  0.451  0.853  0.665  1.0
  N  N36  1  0.229  0.499  0.456  1.0
  N  N37  1  0.501  0.771  0.044  1.0
  N  N38  1  0.771  0.501  0.544  1.0
  N  N39  1  0.499  0.229  0.956  1.0
  N  N40  1  0.135  0.539  0.306  1.0
  N  N41  1  0.461  0.865  0.194  1.0
  N  N42  1  0.865  0.461  0.694  1.0
  N  N43  1  0.539  0.135  0.806  1.0
  N  N44  1  0.283  0.438  0.151  1.0
  N  N45  1  0.562  0.717  0.349  1.0
  N  N46  1  0.717  0.562  0.849  1.0
  N  N47  1  0.438  0.283  0.651  1.0
[/CIF]
.
The material described by RbC2N3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 7-coordinate geometry to one N(2), one N(3), one N(4), one N(5), one N(6), and two equivalent N(1) atoms. In the second Rb site, Rb(2) is bonded in a 7-coordinate geometry to one N(1), one N(2), one N(4), two equivalent N(3), and two equivalent N(6) atoms. There are four inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one N(1) and one N(2) atom. In the second C site, C(2) is bonded in a linear geometry to one N(2) and one N(3) atom. In the third C site, C(3) is bonded in a linear geometry to one N(4) and one N(5) atom. In the fourth C site, C(4) is bonded in a linear geometry to one N(5) and one N(6) atom. There are six inequivalent N sites. In the first N site, N(5) is bonded in a distorted bent 120 degrees geometry to one Rb(1), one C(3), and one C(4) atom. In the second N site, N(6) is bonded in a distorted single-bond geometry to one Rb(1), two equivalent Rb(2), and one C(4) atom. In the third N site, N(4) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(2), and one C(3) atom. In the fourth N site, N(1) is bonded in a distorted single-bond geometry to one Rb(2), two equivalent Rb(1), and one C(1) atom. In the fifth N site, N(2) is bonded in a distorted bent 120 degrees geometry to one Rb(1), one Rb(2), one C(1), and one C(2) atom. In the sixth N site, N(3) is bonded in a distorted single-bond geometry to one Rb(1), two equivalent Rb(2), and one C(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbC2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.668
_cell_length_b   8.668
_cell_length_c   14.624
_cell_angle_alpha   68.569
_cell_angle_beta   68.569
_cell_angle_gamma   71.987
_symmetry_Int_Tables_number   1
_cell_volume   932.342
_cell_formula_units_Z   8
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Rb  Rb0  1  0.840  0.829  0.371  1.0
  Rb  Rb1  1  0.171  0.160  0.129  1.0
  Rb  Rb2  1  0.160  0.171  0.629  1.0
  Rb  Rb3  1  0.829  0.840  0.871  1.0
  Rb  Rb4  1  0.661  0.301  0.086  1.0
  Rb  Rb5  1  0.699  0.339  0.414  1.0
  Rb  Rb6  1  0.339  0.699  0.914  1.0
  Rb  Rb7  1  0.301  0.661  0.586  1.0
  C  C8  1  0.932  0.842  0.109  1.0
  C  C9  1  0.158  0.068  0.391  1.0
  C  C10  1  0.068  0.158  0.891  1.0
  C  C11  1  0.842  0.932  0.609  1.0
  C  C12  1  0.893  0.584  0.123  1.0
  C  C13  1  0.416  0.107  0.377  1.0
  C  C14  1  0.107  0.416  0.877  1.0
  C  C15  1  0.584  0.893  0.623  1.0
  C  C16  1  0.193  0.513  0.382  1.0
  C  C17  1  0.487  0.807  0.118  1.0
  C  C18  1  0.807  0.487  0.618  1.0
  C  C19  1  0.513  0.193  0.882  1.0
  C  C20  1  0.219  0.483  0.226  1.0
  C  C21  1  0.517  0.781  0.274  1.0
  C  C22  1  0.781  0.517  0.774  1.0
  C  C23  1  0.483  0.219  0.726  1.0
  N  N24  1  0.929  0.954  0.139  1.0
  N  N25  1  0.046  0.071  0.361  1.0
  N  N26  1  0.071  0.046  0.861  1.0
  N  N27  1  0.954  0.929  0.639  1.0
  N  N28  1  0.940  0.727  0.069  1.0
  N  N29  1  0.273  0.060  0.431  1.0
  N  N30  1  0.060  0.273  0.931  1.0
  N  N31  1  0.727  0.940  0.569  1.0
  N  N32  1  0.853  0.451  0.165  1.0
  N  N33  1  0.549  0.147  0.335  1.0
  N  N34  1  0.147  0.549  0.835  1.0
  N  N35  1  0.451  0.853  0.665  1.0
  N  N36  1  0.229  0.499  0.456  1.0
  N  N37  1  0.501  0.771  0.044  1.0
  N  N38  1  0.771  0.501  0.544  1.0
  N  N39  1  0.499  0.229  0.956  1.0
  N  N40  1  0.135  0.539  0.306  1.0
  N  N41  1  0.461  0.865  0.194  1.0
  N  N42  1  0.865  0.461  0.694  1.0
  N  N43  1  0.539  0.135  0.806  1.0
  N  N44  1  0.283  0.438  0.151  1.0
  N  N45  1  0.562  0.717  0.349  1.0
  N  N46  1  0.717  0.562  0.849  1.0
  N  N47  1  0.438  0.283  0.651  1.0
[/CIF]
.