The crystal structure described by NaB15 crystallizes in the orthorhombic Imma space group. Na(1) is bonded in a 16-coordinate geometry to two equivalent B(3), two equivalent B(4), four equivalent B(6), and eight equivalent B(5) atoms. There are six inequivalent B sites. In the first B site, B(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent B(2) and two equivalent B(4) atoms. In the second B site, B(2) is bonded in a 7-coordinate geometry to one B(1), one B(3), one B(4), two equivalent B(5), and two equivalent B(6) atoms. In the third B site, B(3) is bonded in a 7-coordinate geometry to one Na(1), one B(2), one B(3), two equivalent B(5), and two equivalent B(6) atoms. In the fourth B site, B(4) is bonded in a 6-coordinate geometry to one Na(1), one B(1), one B(2), one B(4), and two equivalent B(6) atoms. In the fifth B site, B(5) is bonded in a 8-coordinate geometry to two equivalent Na(1), one B(2), one B(3), two equivalent B(5), and two equivalent B(6) atoms. In the sixth B site, B(6) is bonded in a 7-coordinate geometry to one Na(1), one B(2), one B(3), one B(4), one B(6), and two equivalent B(5) atoms. is represented by the CIF file [CIF]
data_NaB15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.837
_cell_length_b   7.253
_cell_length_c   7.253
_cell_angle_alpha   71.037
_cell_angle_beta   66.271
_cell_angle_gamma   66.271
_symmetry_Int_Tables_number   1
_cell_volume   252.410
_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
  Na  Na0  1  0.250  0.088  0.412  1.0
  Na  Na1  1  0.750  0.912  0.588  1.0
  B  B2  1  0.250  0.494  0.006  1.0
  B  B3  1  0.750  0.506  0.994  1.0
  B  B4  1  0.103  0.746  0.049  1.0
  B  B5  1  0.897  0.254  0.951  1.0
  B  B6  1  0.397  0.451  0.754  1.0
  B  B7  1  0.603  0.549  0.246  1.0
  B  B8  1  0.165  0.883  0.787  1.0
  B  B9  1  0.835  0.117  0.213  1.0
  B  B10  1  0.335  0.713  0.617  1.0
  B  B11  1  0.665  0.287  0.383  1.0
  B  B12  1  0.145  0.458  0.251  1.0
  B  B13  1  0.855  0.542  0.749  1.0
  B  B14  1  0.355  0.249  0.042  1.0
  B  B15  1  0.645  0.751  0.958  1.0
  B  B16  1  0.208  0.119  0.787  1.0
  B  B17  1  0.113  0.881  0.213  1.0
  B  B18  1  0.292  0.713  0.381  1.0
  B  B19  1  0.387  0.287  0.619  1.0
  B  B20  1  0.792  0.881  0.213  1.0
  B  B21  1  0.887  0.119  0.787  1.0
  B  B22  1  0.708  0.287  0.619  1.0
  B  B23  1  0.613  0.713  0.381  1.0
  B  B24  1  0.329  0.883  0.954  1.0
  B  B25  1  0.166  0.117  0.046  1.0
  B  B26  1  0.171  0.546  0.617  1.0
  B  B27  1  0.334  0.454  0.383  1.0
  B  B28  1  0.671  0.117  0.046  1.0
  B  B29  1  0.834  0.883  0.954  1.0
  B  B30  1  0.829  0.454  0.383  1.0
  B  B31  1  0.666  0.546  0.617  1.0
[/CIF]
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The crystal structure described by NaB15 crystallizes in the orthorhombic Imma space group. Na(1) is bonded in a 16-coordinate geometry to two equivalent B(3), two equivalent B(4), four equivalent B(6), and eight equivalent B(5) atoms. There are six inequivalent B sites. In the first B site, B(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent B(2) and two equivalent B(4) atoms. In the second B site, B(2) is bonded in a 7-coordinate geometry to one B(1), one B(3), one B(4), two equivalent B(5), and two equivalent B(6) atoms. In the third B site, B(3) is bonded in a 7-coordinate geometry to one Na(1), one B(2), one B(3), two equivalent B(5), and two equivalent B(6) atoms. In the fourth B site, B(4) is bonded in a 6-coordinate geometry to one Na(1), one B(1), one B(2), one B(4), and two equivalent B(6) atoms. In the fifth B site, B(5) is bonded in a 8-coordinate geometry to two equivalent Na(1), one B(2), one B(3), two equivalent B(5), and two equivalent B(6) atoms. In the sixth B site, B(6) is bonded in a 7-coordinate geometry to one Na(1), one B(2), one B(3), one B(4), one B(6), and two equivalent B(5) atoms. is represented by the CIF file [CIF]
data_NaB15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.837
_cell_length_b   7.253
_cell_length_c   7.253
_cell_angle_alpha   71.037
_cell_angle_beta   66.271
_cell_angle_gamma   66.271
_symmetry_Int_Tables_number   1
_cell_volume   252.410
_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
  Na  Na0  1  0.250  0.088  0.412  1.0
  Na  Na1  1  0.750  0.912  0.588  1.0
  B  B2  1  0.250  0.494  0.006  1.0
  B  B3  1  0.750  0.506  0.994  1.0
  B  B4  1  0.103  0.746  0.049  1.0
  B  B5  1  0.897  0.254  0.951  1.0
  B  B6  1  0.397  0.451  0.754  1.0
  B  B7  1  0.603  0.549  0.246  1.0
  B  B8  1  0.165  0.883  0.787  1.0
  B  B9  1  0.835  0.117  0.213  1.0
  B  B10  1  0.335  0.713  0.617  1.0
  B  B11  1  0.665  0.287  0.383  1.0
  B  B12  1  0.145  0.458  0.251  1.0
  B  B13  1  0.855  0.542  0.749  1.0
  B  B14  1  0.355  0.249  0.042  1.0
  B  B15  1  0.645  0.751  0.958  1.0
  B  B16  1  0.208  0.119  0.787  1.0
  B  B17  1  0.113  0.881  0.213  1.0
  B  B18  1  0.292  0.713  0.381  1.0
  B  B19  1  0.387  0.287  0.619  1.0
  B  B20  1  0.792  0.881  0.213  1.0
  B  B21  1  0.887  0.119  0.787  1.0
  B  B22  1  0.708  0.287  0.619  1.0
  B  B23  1  0.613  0.713  0.381  1.0
  B  B24  1  0.329  0.883  0.954  1.0
  B  B25  1  0.166  0.117  0.046  1.0
  B  B26  1  0.171  0.546  0.617  1.0
  B  B27  1  0.334  0.454  0.383  1.0
  B  B28  1  0.671  0.117  0.046  1.0
  B  B29  1  0.834  0.883  0.954  1.0
  B  B30  1  0.829  0.454  0.383  1.0
  B  B31  1  0.666  0.546  0.617  1.0
[/CIF]
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