The material structure described by Cs3BN2 crystallizes in the tetragonal I4_1/amd space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 5-coordinate geometry to one B(1) and four equivalent N(1) atoms. In the second Cs site, Cs(2) is bonded to four equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing CsN4 tetrahedra. B(1) is bonded in a linear geometry to one Cs(1) and two equivalent N(1) atoms. N(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1), four equivalent Cs(2), and one B(1) atom. is represented by the CIF file [CIF]
data_Cs3BN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.036
_cell_length_b   9.468
_cell_length_c   14.954
_cell_angle_alpha   90.000
_cell_angle_beta   138.159
_cell_angle_gamma   118.144
_symmetry_Int_Tables_number   1
_cell_volume   670.262
_cell_formula_units_Z   4
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
  Cs  Cs0  1  0.000  0.500  0.376  1.0
  Cs  Cs1  1  0.000  0.000  0.874  1.0
  Cs  Cs2  1  0.000  0.500  0.124  1.0
  Cs  Cs3  1  0.000  0.000  0.126  1.0
  Cs  Cs4  1  0.604  0.500  0.552  1.0
  Cs  Cs5  1  0.396  0.500  0.948  1.0
  Cs  Cs6  1  0.604  0.000  0.302  1.0
  Cs  Cs7  1  0.396  0.000  0.698  1.0
  Cs  Cs8  1  0.396  0.896  0.948  1.0
  Cs  Cs9  1  0.604  0.104  0.552  1.0
  Cs  Cs10  1  0.396  0.396  0.698  1.0
  Cs  Cs11  1  0.604  0.604  0.302  1.0
  B  B12  1  0.000  0.500  0.580  1.0
  B  B13  1  0.000  0.000  0.670  1.0
  B  B14  1  0.000  0.500  0.920  1.0
  B  B15  1  0.000  0.000  0.330  1.0
  N  N16  1  0.288  0.644  0.721  1.0
  N  N17  1  0.712  0.356  0.433  1.0
  N  N18  1  0.288  0.144  0.817  1.0
  N  N19  1  0.712  0.856  0.529  1.0
  N  N20  1  0.000  0.356  0.923  1.0
  N  N21  1  0.000  0.644  0.923  1.0
  N  N22  1  0.000  0.856  0.327  1.0
  N  N23  1  0.000  0.144  0.327  1.0
[/CIF]
.
The material structure described by Cs3BN2 crystallizes in the tetragonal I4_1/amd space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 5-coordinate geometry to one B(1) and four equivalent N(1) atoms. In the second Cs site, Cs(2) is bonded to four equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing CsN4 tetrahedra. B(1) is bonded in a linear geometry to one Cs(1) and two equivalent N(1) atoms. N(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1), four equivalent Cs(2), and one B(1) atom. is represented by the CIF file [CIF]
data_Cs3BN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.036
_cell_length_b   9.468
_cell_length_c   14.954
_cell_angle_alpha   90.000
_cell_angle_beta   138.159
_cell_angle_gamma   118.144
_symmetry_Int_Tables_number   1
_cell_volume   670.262
_cell_formula_units_Z   4
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
  Cs  Cs0  1  0.000  0.500  0.376  1.0
  Cs  Cs1  1  0.000  0.000  0.874  1.0
  Cs  Cs2  1  0.000  0.500  0.124  1.0
  Cs  Cs3  1  0.000  0.000  0.126  1.0
  Cs  Cs4  1  0.604  0.500  0.552  1.0
  Cs  Cs5  1  0.396  0.500  0.948  1.0
  Cs  Cs6  1  0.604  0.000  0.302  1.0
  Cs  Cs7  1  0.396  0.000  0.698  1.0
  Cs  Cs8  1  0.396  0.896  0.948  1.0
  Cs  Cs9  1  0.604  0.104  0.552  1.0
  Cs  Cs10  1  0.396  0.396  0.698  1.0
  Cs  Cs11  1  0.604  0.604  0.302  1.0
  B  B12  1  0.000  0.500  0.580  1.0
  B  B13  1  0.000  0.000  0.670  1.0
  B  B14  1  0.000  0.500  0.920  1.0
  B  B15  1  0.000  0.000  0.330  1.0
  N  N16  1  0.288  0.644  0.721  1.0
  N  N17  1  0.712  0.356  0.433  1.0
  N  N18  1  0.288  0.144  0.817  1.0
  N  N19  1  0.712  0.856  0.529  1.0
  N  N20  1  0.000  0.356  0.923  1.0
  N  N21  1  0.000  0.644  0.923  1.0
  N  N22  1  0.000  0.856  0.327  1.0
  N  N23  1  0.000  0.144  0.327  1.0
[/CIF]
.