The material described by Cs2B6NO2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 2-coordinate geometry to one B(2), one B(6), three equivalent B(3), and two equivalent O(2) atoms. In the second Cs site, Cs(2) is bonded in a 2-coordinate geometry to two equivalent B(2), two equivalent B(6), three equivalent B(5), and two equivalent O(1) atoms. There are six inequivalent B sites. In the first B site, B(1) is bonded in a single-bond geometry to one B(2), one B(3), one B(4), one B(5), and one N(1) atom. In the second B site, B(2) is bonded in a 7-coordinate geometry to one Cs(1), two equivalent Cs(2), one B(1), one B(3), one B(5), and one B(6) atom. In the third B site, B(3) is bonded in a 7-coordinate geometry to three equivalent Cs(1), one B(1), one B(2), one B(4), and one B(6) atom. In the fourth B site, B(4) is bonded in a 4-coordinate geometry to one B(1), one B(3), one B(5), and one B(6) atom. In the fifth B site, B(5) is bonded in a 7-coordinate geometry to three equivalent Cs(2), one B(1), one B(2), one B(4), and one B(6) atom. In the sixth B site, B(6) is bonded in a 7-coordinate geometry to one Cs(1), two equivalent Cs(2), one B(2), one B(3), one B(4), and one B(5) atom. N(1) is bonded in a trigonal planar geometry to one B(1), one O(1), and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Cs(2) and one N(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one N(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2B6NO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.726
_cell_length_b   9.488
_cell_length_c   11.222
_cell_angle_alpha   77.751
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1012.035
_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  0.406  0.265  0.586  1.0
  Cs  Cs1  1  0.906  0.235  0.414  1.0
  Cs  Cs2  1  0.594  0.735  0.414  1.0
  Cs  Cs3  1  0.094  0.765  0.586  1.0
  Cs  Cs4  1  0.254  0.497  0.022  1.0
  Cs  Cs5  1  0.754  0.003  0.978  1.0
  Cs  Cs6  1  0.746  0.503  0.978  1.0
  Cs  Cs7  1  0.246  0.997  0.022  1.0
  B  B8  1  0.410  0.175  0.261  1.0
  B  B9  1  0.910  0.325  0.739  1.0
  B  B10  1  0.590  0.825  0.739  1.0
  B  B11  1  0.090  0.675  0.261  1.0
  B  B12  1  0.527  0.061  0.214  1.0
  B  B13  1  0.027  0.439  0.786  1.0
  B  B14  1  0.473  0.939  0.786  1.0
  B  B15  1  0.973  0.561  0.214  1.0
  B  B16  1  0.567  0.137  0.334  1.0
  B  B17  1  0.067  0.363  0.666  1.0
  B  B18  1  0.433  0.863  0.666  1.0
  B  B19  1  0.933  0.637  0.334  1.0
  B  B20  1  0.535  0.304  0.249  1.0
  B  B21  1  0.035  0.196  0.750  1.0
  B  B22  1  0.465  0.696  0.750  1.0
  B  B23  1  0.965  0.804  0.249  1.0
  B  B24  1  0.502  0.227  0.126  1.0
  B  B25  1  0.002  0.273  0.874  1.0
  B  B26  1  0.498  0.773  0.874  1.0
  B  B27  1  0.998  0.727  0.126  1.0
  B  B28  1  0.656  0.197  0.199  1.0
  B  B29  1  0.156  0.303  0.801  1.0
  B  B30  1  0.344  0.803  0.801  1.0
  B  B31  1  0.844  0.697  0.199  1.0
  N  N32  1  0.259  0.165  0.297  1.0
  N  N33  1  0.759  0.335  0.703  1.0
  N  N34  1  0.741  0.835  0.703  1.0
  N  N35  1  0.241  0.665  0.297  1.0
  O  O36  1  0.168  0.194  0.215  1.0
  O  O37  1  0.668  0.306  0.785  1.0
  O  O38  1  0.832  0.806  0.785  1.0
  O  O39  1  0.332  0.694  0.215  1.0
  O  O40  1  0.225  0.127  0.408  1.0
  O  O41  1  0.725  0.373  0.592  1.0
  O  O42  1  0.775  0.873  0.592  1.0
  O  O43  1  0.275  0.627  0.408  1.0
[/CIF]
.
The material described by Cs2B6NO2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 2-coordinate geometry to one B(2), one B(6), three equivalent B(3), and two equivalent O(2) atoms. In the second Cs site, Cs(2) is bonded in a 2-coordinate geometry to two equivalent B(2), two equivalent B(6), three equivalent B(5), and two equivalent O(1) atoms. There are six inequivalent B sites. In the first B site, B(1) is bonded in a single-bond geometry to one B(2), one B(3), one B(4), one B(5), and one N(1) atom. In the second B site, B(2) is bonded in a 7-coordinate geometry to one Cs(1), two equivalent Cs(2), one B(1), one B(3), one B(5), and one B(6) atom. In the third B site, B(3) is bonded in a 7-coordinate geometry to three equivalent Cs(1), one B(1), one B(2), one B(4), and one B(6) atom. In the fourth B site, B(4) is bonded in a 4-coordinate geometry to one B(1), one B(3), one B(5), and one B(6) atom. In the fifth B site, B(5) is bonded in a 7-coordinate geometry to three equivalent Cs(2), one B(1), one B(2), one B(4), and one B(6) atom. In the sixth B site, B(6) is bonded in a 7-coordinate geometry to one Cs(1), two equivalent Cs(2), one B(2), one B(3), one B(4), and one B(5) atom. N(1) is bonded in a trigonal planar geometry to one B(1), one O(1), and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Cs(2) and one N(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one N(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2B6NO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.726
_cell_length_b   9.488
_cell_length_c   11.222
_cell_angle_alpha   77.751
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1012.035
_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  0.406  0.265  0.586  1.0
  Cs  Cs1  1  0.906  0.235  0.414  1.0
  Cs  Cs2  1  0.594  0.735  0.414  1.0
  Cs  Cs3  1  0.094  0.765  0.586  1.0
  Cs  Cs4  1  0.254  0.497  0.022  1.0
  Cs  Cs5  1  0.754  0.003  0.978  1.0
  Cs  Cs6  1  0.746  0.503  0.978  1.0
  Cs  Cs7  1  0.246  0.997  0.022  1.0
  B  B8  1  0.410  0.175  0.261  1.0
  B  B9  1  0.910  0.325  0.739  1.0
  B  B10  1  0.590  0.825  0.739  1.0
  B  B11  1  0.090  0.675  0.261  1.0
  B  B12  1  0.527  0.061  0.214  1.0
  B  B13  1  0.027  0.439  0.786  1.0
  B  B14  1  0.473  0.939  0.786  1.0
  B  B15  1  0.973  0.561  0.214  1.0
  B  B16  1  0.567  0.137  0.334  1.0
  B  B17  1  0.067  0.363  0.666  1.0
  B  B18  1  0.433  0.863  0.666  1.0
  B  B19  1  0.933  0.637  0.334  1.0
  B  B20  1  0.535  0.304  0.249  1.0
  B  B21  1  0.035  0.196  0.750  1.0
  B  B22  1  0.465  0.696  0.750  1.0
  B  B23  1  0.965  0.804  0.249  1.0
  B  B24  1  0.502  0.227  0.126  1.0
  B  B25  1  0.002  0.273  0.874  1.0
  B  B26  1  0.498  0.773  0.874  1.0
  B  B27  1  0.998  0.727  0.126  1.0
  B  B28  1  0.656  0.197  0.199  1.0
  B  B29  1  0.156  0.303  0.801  1.0
  B  B30  1  0.344  0.803  0.801  1.0
  B  B31  1  0.844  0.697  0.199  1.0
  N  N32  1  0.259  0.165  0.297  1.0
  N  N33  1  0.759  0.335  0.703  1.0
  N  N34  1  0.741  0.835  0.703  1.0
  N  N35  1  0.241  0.665  0.297  1.0
  O  O36  1  0.168  0.194  0.215  1.0
  O  O37  1  0.668  0.306  0.785  1.0
  O  O38  1  0.832  0.806  0.785  1.0
  O  O39  1  0.332  0.694  0.215  1.0
  O  O40  1  0.225  0.127  0.408  1.0
  O  O41  1  0.725  0.373  0.592  1.0
  O  O42  1  0.775  0.873  0.592  1.0
  O  O43  1  0.275  0.627  0.408  1.0
[/CIF]
.