The structure described by Na2B29 crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 16-coordinate geometry to two equivalent B(11), two equivalent B(7), four equivalent B(10), four equivalent B(5), and four equivalent B(6) atoms. In the second Na site, Na(2) is bonded in a 16-coordinate geometry to two equivalent B(2), two equivalent B(8), four equivalent B(5), four equivalent B(6), and four equivalent B(9) atoms. There are eleven inequivalent B sites. In the first B site, B(1) is bonded in a 4-coordinate geometry to two equivalent B(11) and two equivalent B(3) atoms. In the second B site, B(2) is bonded to one Na(2), one B(4), and two equivalent B(9) atoms to form distorted corner-sharing BNaB3 tetrahedra. In the third B site, B(3) is bonded in a 7-coordinate geometry to one B(1), one B(11), one B(7), two equivalent B(6), and two equivalent B(9) atoms. In the fourth B site, B(4) is bonded in a 6-coordinate geometry to one B(2), one B(8), two equivalent B(10), and two equivalent B(5) atoms. In the fifth B site, B(5) is bonded in a 8-coordinate geometry to one Na(1), one Na(2), one B(10), one B(4), one B(5), one B(6), one B(7), and one B(9) atom. In the sixth B site, B(6) is bonded in a 8-coordinate geometry to one Na(1), one Na(2), one B(10), one B(3), one B(5), one B(6), one B(8), and one B(9) atom. In the seventh B site, B(7) is bonded in a 7-coordinate geometry to one Na(1), one B(3), one B(7), two equivalent B(5), and two equivalent B(9) atoms. In the eighth B site, B(8) is bonded in a 7-coordinate geometry to one Na(2), one B(4), one B(8), two equivalent B(10), and two equivalent B(6) atoms. In the ninth B site, B(9) is bonded in a 7-coordinate geometry to one Na(2), one B(10), one B(2), one B(3), one B(5), one B(6), and one B(7) atom. In the tenth B site, B(10) is bonded in a 7-coordinate geometry to one Na(1), one B(11), one B(4), one B(5), one B(6), one B(8), and one B(9) atom. In the eleventh B site, B(11) is bonded in a 6-coordinate geometry to one Na(1), one B(1), one B(11), one B(3), and two equivalent B(10) atoms. is represented by the CIF card [CIF]
data_Na2B29
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.250
_cell_length_b   7.250
_cell_length_c   7.250
_cell_angle_alpha   132.731
_cell_angle_beta   109.905
_cell_angle_gamma   88.910
_symmetry_Int_Tables_number   1
_cell_volume   250.443
_cell_formula_units_Z   1
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
  Na  Na0  1  0.163  0.500  0.663  1.0
  Na  Na1  1  0.359  0.000  0.359  1.0
  B  B2  1  0.744  0.500  0.244  1.0
  B  B3  1  0.509  0.872  0.637  1.0
  B  B4  1  0.816  0.654  0.162  1.0
  B  B5  1  0.508  0.346  0.162  1.0
  B  B6  1  0.992  0.153  0.839  1.0
  B  B7  1  0.685  0.847  0.839  1.0
  B  B8  1  0.536  0.536  0.679  1.0
  B  B9  1  0.143  0.143  0.679  1.0
  B  B10  1  0.364  0.358  0.329  1.0
  B  B11  1  0.971  0.965  0.329  1.0
  B  B12  1  0.143  0.464  0.999  1.0
  B  B13  1  0.536  0.857  0.999  1.0
  B  B14  1  0.971  0.642  0.006  1.0
  B  B15  1  0.364  0.035  0.006  1.0
  B  B16  1  0.548  0.584  0.964  1.0
  B  B17  1  0.380  0.416  0.964  1.0
  B  B18  1  0.124  0.084  0.040  1.0
  B  B19  1  0.956  0.916  0.040  1.0
  B  B20  1  0.713  0.423  0.796  1.0
  B  B21  1  0.373  0.084  0.796  1.0
  B  B22  1  0.373  0.577  0.290  1.0
  B  B23  1  0.713  0.916  0.290  1.0
  B  B24  1  0.133  0.419  0.211  1.0
  B  B25  1  0.792  0.077  0.211  1.0
  B  B26  1  0.792  0.581  0.715  1.0
  B  B27  1  0.133  0.923  0.715  1.0
  B  B28  1  0.989  0.600  0.389  1.0
  B  B29  1  0.789  0.400  0.389  1.0
  B  B30  1  0.766  0.128  0.637  1.0
[/CIF]
.
The structure described by Na2B29 crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 16-coordinate geometry to two equivalent B(11), two equivalent B(7), four equivalent B(10), four equivalent B(5), and four equivalent B(6) atoms. In the second Na site, Na(2) is bonded in a 16-coordinate geometry to two equivalent B(2), two equivalent B(8), four equivalent B(5), four equivalent B(6), and four equivalent B(9) atoms. There are eleven inequivalent B sites. In the first B site, B(1) is bonded in a 4-coordinate geometry to two equivalent B(11) and two equivalent B(3) atoms. In the second B site, B(2) is bonded to one Na(2), one B(4), and two equivalent B(9) atoms to form distorted corner-sharing BNaB3 tetrahedra. In the third B site, B(3) is bonded in a 7-coordinate geometry to one B(1), one B(11), one B(7), two equivalent B(6), and two equivalent B(9) atoms. In the fourth B site, B(4) is bonded in a 6-coordinate geometry to one B(2), one B(8), two equivalent B(10), and two equivalent B(5) atoms. In the fifth B site, B(5) is bonded in a 8-coordinate geometry to one Na(1), one Na(2), one B(10), one B(4), one B(5), one B(6), one B(7), and one B(9) atom. In the sixth B site, B(6) is bonded in a 8-coordinate geometry to one Na(1), one Na(2), one B(10), one B(3), one B(5), one B(6), one B(8), and one B(9) atom. In the seventh B site, B(7) is bonded in a 7-coordinate geometry to one Na(1), one B(3), one B(7), two equivalent B(5), and two equivalent B(9) atoms. In the eighth B site, B(8) is bonded in a 7-coordinate geometry to one Na(2), one B(4), one B(8), two equivalent B(10), and two equivalent B(6) atoms. In the ninth B site, B(9) is bonded in a 7-coordinate geometry to one Na(2), one B(10), one B(2), one B(3), one B(5), one B(6), and one B(7) atom. In the tenth B site, B(10) is bonded in a 7-coordinate geometry to one Na(1), one B(11), one B(4), one B(5), one B(6), one B(8), and one B(9) atom. In the eleventh B site, B(11) is bonded in a 6-coordinate geometry to one Na(1), one B(1), one B(11), one B(3), and two equivalent B(10) atoms. is represented by the CIF card [CIF]
data_Na2B29
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.250
_cell_length_b   7.250
_cell_length_c   7.250
_cell_angle_alpha   132.731
_cell_angle_beta   109.905
_cell_angle_gamma   88.910
_symmetry_Int_Tables_number   1
_cell_volume   250.443
_cell_formula_units_Z   1
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
  Na  Na0  1  0.163  0.500  0.663  1.0
  Na  Na1  1  0.359  0.000  0.359  1.0
  B  B2  1  0.744  0.500  0.244  1.0
  B  B3  1  0.509  0.872  0.637  1.0
  B  B4  1  0.816  0.654  0.162  1.0
  B  B5  1  0.508  0.346  0.162  1.0
  B  B6  1  0.992  0.153  0.839  1.0
  B  B7  1  0.685  0.847  0.839  1.0
  B  B8  1  0.536  0.536  0.679  1.0
  B  B9  1  0.143  0.143  0.679  1.0
  B  B10  1  0.364  0.358  0.329  1.0
  B  B11  1  0.971  0.965  0.329  1.0
  B  B12  1  0.143  0.464  0.999  1.0
  B  B13  1  0.536  0.857  0.999  1.0
  B  B14  1  0.971  0.642  0.006  1.0
  B  B15  1  0.364  0.035  0.006  1.0
  B  B16  1  0.548  0.584  0.964  1.0
  B  B17  1  0.380  0.416  0.964  1.0
  B  B18  1  0.124  0.084  0.040  1.0
  B  B19  1  0.956  0.916  0.040  1.0
  B  B20  1  0.713  0.423  0.796  1.0
  B  B21  1  0.373  0.084  0.796  1.0
  B  B22  1  0.373  0.577  0.290  1.0
  B  B23  1  0.713  0.916  0.290  1.0
  B  B24  1  0.133  0.419  0.211  1.0
  B  B25  1  0.792  0.077  0.211  1.0
  B  B26  1  0.792  0.581  0.715  1.0
  B  B27  1  0.133  0.923  0.715  1.0
  B  B28  1  0.989  0.600  0.389  1.0
  B  B29  1  0.789  0.400  0.389  1.0
  B  B30  1  0.766  0.128  0.637  1.0
[/CIF]
.