The material structure described by RbBa2N15 crystallizes in the monoclinic P2/c space group. Rb(1) is bonded in a 12-coordinate geometry to two equivalent N(1), two equivalent N(4), two equivalent N(7), two equivalent N(8), and four equivalent N(2) atoms. Ba(1) is bonded in a 10-coordinate geometry to one N(5), one N(6), two equivalent N(1), two equivalent N(4), two equivalent N(7), and two equivalent N(8) atoms. There are ten inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to one Rb(1), two equivalent Ba(1), and one N(2) atom. In the second N site, N(2) is bonded in a distorted linear geometry to two equivalent Rb(1), one N(1), and one N(8) atom. In the third N site, N(3) is bonded in a linear geometry to one N(5) and one N(6) atom. In the fourth N site, N(4) is bonded to one Rb(1), two equivalent Ba(1), and one N(10) atom to form a mixture of edge and corner-sharing NRbBa2N tetrahedra. In the fifth N site, N(5) is bonded in a trigonal planar geometry to two equivalent Ba(1) and one N(3) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to two equivalent Ba(1) and one N(3) atom. In the seventh N site, N(7) is bonded to one Rb(1), two equivalent Ba(1), and one N(9) atom to form a mixture of distorted edge and corner-sharing NRbBa2N tetrahedra. In the eighth N site, N(8) is bonded in a 4-coordinate geometry to one Rb(1), two equivalent Ba(1), and one N(2) atom. In the ninth N site, N(9) is bonded in a linear geometry to two equivalent N(7) atoms. In the tenth N site, N(10) is bonded in a linear geometry to two equivalent N(4) atoms. is represented by the CIF file [CIF]
data_RbBa2N15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.707
_cell_length_b   8.791
_cell_length_c   14.754
_cell_angle_alpha   53.608
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   595.871
_cell_formula_units_Z   2
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  0.573  0.000  0.750  1.0
  Rb  Rb1  1  0.427  0.000  0.250  1.0
  Ba  Ba2  1  0.997  0.687  0.551  1.0
  Ba  Ba3  1  0.003  0.313  0.449  1.0
  Ba  Ba4  1  0.003  0.687  0.051  1.0
  Ba  Ba5  1  0.997  0.313  0.949  1.0
  N  N6  1  0.121  0.763  0.824  1.0
  N  N7  1  0.059  0.163  0.770  1.0
  N  N8  1  0.504  0.500  0.750  1.0
  N  N9  1  0.675  0.571  0.949  1.0
  N  N10  1  0.704  0.500  0.250  1.0
  N  N11  1  0.941  0.837  0.230  1.0
  N  N12  1  0.711  0.500  0.750  1.0
  N  N13  1  0.879  0.237  0.176  1.0
  N  N14  1  0.503  0.866  0.499  1.0
  N  N15  1  0.004  0.088  0.364  1.0
  N  N16  1  0.325  0.571  0.449  1.0
  N  N17  1  0.675  0.429  0.551  1.0
  N  N18  1  0.497  0.866  0.999  1.0
  N  N19  1  0.325  0.429  0.051  1.0
  N  N20  1  0.289  0.500  0.250  1.0
  N  N21  1  0.059  0.837  0.730  1.0
  N  N22  1  0.941  0.163  0.270  1.0
  N  N23  1  0.500  0.000  0.500  1.0
  N  N24  1  0.121  0.237  0.676  1.0
  N  N25  1  0.879  0.763  0.324  1.0
  N  N26  1  0.296  0.500  0.750  1.0
  N  N27  1  0.496  0.500  0.250  1.0
  N  N28  1  0.004  0.912  0.136  1.0
  N  N29  1  0.497  0.134  0.501  1.0
  N  N30  1  0.996  0.088  0.864  1.0
  N  N31  1  0.500  0.500  0.000  1.0
  N  N32  1  0.996  0.912  0.636  1.0
  N  N33  1  0.500  0.500  0.500  1.0
  N  N34  1  0.503  0.134  0.001  1.0
  N  N35  1  0.500  0.000  0.000  1.0
[/CIF]
.
The material structure described by RbBa2N15 crystallizes in the monoclinic P2/c space group. Rb(1) is bonded in a 12-coordinate geometry to two equivalent N(1), two equivalent N(4), two equivalent N(7), two equivalent N(8), and four equivalent N(2) atoms. Ba(1) is bonded in a 10-coordinate geometry to one N(5), one N(6), two equivalent N(1), two equivalent N(4), two equivalent N(7), and two equivalent N(8) atoms. There are ten inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to one Rb(1), two equivalent Ba(1), and one N(2) atom. In the second N site, N(2) is bonded in a distorted linear geometry to two equivalent Rb(1), one N(1), and one N(8) atom. In the third N site, N(3) is bonded in a linear geometry to one N(5) and one N(6) atom. In the fourth N site, N(4) is bonded to one Rb(1), two equivalent Ba(1), and one N(10) atom to form a mixture of edge and corner-sharing NRbBa2N tetrahedra. In the fifth N site, N(5) is bonded in a trigonal planar geometry to two equivalent Ba(1) and one N(3) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to two equivalent Ba(1) and one N(3) atom. In the seventh N site, N(7) is bonded to one Rb(1), two equivalent Ba(1), and one N(9) atom to form a mixture of distorted edge and corner-sharing NRbBa2N tetrahedra. In the eighth N site, N(8) is bonded in a 4-coordinate geometry to one Rb(1), two equivalent Ba(1), and one N(2) atom. In the ninth N site, N(9) is bonded in a linear geometry to two equivalent N(7) atoms. In the tenth N site, N(10) is bonded in a linear geometry to two equivalent N(4) atoms. is represented by the CIF file [CIF]
data_RbBa2N15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.707
_cell_length_b   8.791
_cell_length_c   14.754
_cell_angle_alpha   53.608
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   595.871
_cell_formula_units_Z   2
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  0.573  0.000  0.750  1.0
  Rb  Rb1  1  0.427  0.000  0.250  1.0
  Ba  Ba2  1  0.997  0.687  0.551  1.0
  Ba  Ba3  1  0.003  0.313  0.449  1.0
  Ba  Ba4  1  0.003  0.687  0.051  1.0
  Ba  Ba5  1  0.997  0.313  0.949  1.0
  N  N6  1  0.121  0.763  0.824  1.0
  N  N7  1  0.059  0.163  0.770  1.0
  N  N8  1  0.504  0.500  0.750  1.0
  N  N9  1  0.675  0.571  0.949  1.0
  N  N10  1  0.704  0.500  0.250  1.0
  N  N11  1  0.941  0.837  0.230  1.0
  N  N12  1  0.711  0.500  0.750  1.0
  N  N13  1  0.879  0.237  0.176  1.0
  N  N14  1  0.503  0.866  0.499  1.0
  N  N15  1  0.004  0.088  0.364  1.0
  N  N16  1  0.325  0.571  0.449  1.0
  N  N17  1  0.675  0.429  0.551  1.0
  N  N18  1  0.497  0.866  0.999  1.0
  N  N19  1  0.325  0.429  0.051  1.0
  N  N20  1  0.289  0.500  0.250  1.0
  N  N21  1  0.059  0.837  0.730  1.0
  N  N22  1  0.941  0.163  0.270  1.0
  N  N23  1  0.500  0.000  0.500  1.0
  N  N24  1  0.121  0.237  0.676  1.0
  N  N25  1  0.879  0.763  0.324  1.0
  N  N26  1  0.296  0.500  0.750  1.0
  N  N27  1  0.496  0.500  0.250  1.0
  N  N28  1  0.004  0.912  0.136  1.0
  N  N29  1  0.497  0.134  0.501  1.0
  N  N30  1  0.996  0.088  0.864  1.0
  N  N31  1  0.500  0.500  0.000  1.0
  N  N32  1  0.996  0.912  0.636  1.0
  N  N33  1  0.500  0.500  0.500  1.0
  N  N34  1  0.503  0.134  0.001  1.0
  N  N35  1  0.500  0.000  0.000  1.0
[/CIF]
.