The material described by Na2B4O17 crystallizes in the monoclinic C2/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted hexagonal bipyramidal geometry to two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. In the second Na site, Na(2) is bonded in a distorted see-saw-like geometry to two equivalent O(4) and two equivalent O(6) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(5) atom. There are nine inequivalent O sites. In the first O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Na(2) and one O(7) atom. In the second O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one B(2) atom. In the third O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one O(9) atom. In the fourth O site, O(7) is bonded in a water-like geometry to one Na(1) and one O(4) atom. In the fifth O site, O(8) is bonded in an L-shaped geometry to one Na(1) and one O(9) atom. In the sixth O site, O(9) is bonded in a bent 120 degrees geometry to one O(6) and one O(8) atom. In the seventh O site, O(1) is bonded in an L-shaped geometry to two equivalent B(1) atoms. In the eighth O site, O(2) is bonded in a water-like geometry to one B(1) and one B(2) atom. In the ninth O site, O(3) is bonded in a bent 120 degrees geometry to one B(1) and one B(2) atom. is represented by the CIF card [CIF]
data_Na2B4O17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.609
_cell_length_b   7.609
_cell_length_c   13.534
_cell_angle_alpha   79.583
_cell_angle_beta   79.583
_cell_angle_gamma   90.792
_symmetry_Int_Tables_number   1
_cell_volume   757.092
_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  0.500  0.000  0.500  1.0
  Na  Na1  1  0.000  0.500  0.000  1.0
  Na  Na2  1  0.465  0.535  0.750  1.0
  Na  Na3  1  0.535  0.465  0.250  1.0
  B  B4  1  0.966  0.224  0.723  1.0
  B  B5  1  0.776  0.034  0.777  1.0
  B  B6  1  0.034  0.776  0.277  1.0
  B  B7  1  0.224  0.966  0.223  1.0
  B  B8  1  0.827  0.215  0.893  1.0
  B  B9  1  0.785  0.173  0.607  1.0
  B  B10  1  0.173  0.785  0.107  1.0
  B  B11  1  0.215  0.827  0.393  1.0
  O  O12  1  0.965  0.035  0.750  1.0
  O  O13  1  0.035  0.965  0.250  1.0
  O  O14  1  0.956  0.310  0.806  1.0
  O  O15  1  0.690  0.044  0.694  1.0
  O  O16  1  0.044  0.690  0.194  1.0
  O  O17  1  0.310  0.956  0.306  1.0
  O  O18  1  0.912  0.292  0.632  1.0
  O  O19  1  0.708  0.088  0.868  1.0
  O  O20  1  0.088  0.708  0.368  1.0
  O  O21  1  0.292  0.912  0.132  1.0
  O  O22  1  0.312  0.230  0.691  1.0
  O  O23  1  0.770  0.688  0.809  1.0
  O  O24  1  0.688  0.770  0.309  1.0
  O  O25  1  0.230  0.312  0.191  1.0
  O  O26  1  0.819  0.258  0.984  1.0
  O  O27  1  0.742  0.181  0.516  1.0
  O  O28  1  0.181  0.742  0.016  1.0
  O  O29  1  0.258  0.819  0.484  1.0
  O  O30  1  0.304  0.397  0.906  1.0
  O  O31  1  0.603  0.696  0.594  1.0
  O  O32  1  0.696  0.603  0.094  1.0
  O  O33  1  0.397  0.304  0.406  1.0
  O  O34  1  0.343  0.070  0.698  1.0
  O  O35  1  0.930  0.657  0.802  1.0
  O  O36  1  0.657  0.930  0.302  1.0
  O  O37  1  0.070  0.343  0.198  1.0
  O  O38  1  0.888  0.817  0.001  1.0
  O  O39  1  0.183  0.112  0.499  1.0
  O  O40  1  0.112  0.183  0.999  1.0
  O  O41  1  0.817  0.888  0.501  1.0
  O  O42  1  0.774  0.761  0.578  1.0
  O  O43  1  0.239  0.226  0.922  1.0
  O  O44  1  0.226  0.239  0.422  1.0
  O  O45  1  0.761  0.774  0.078  1.0
[/CIF]
.
The material described by Na2B4O17 crystallizes in the monoclinic C2/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted hexagonal bipyramidal geometry to two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. In the second Na site, Na(2) is bonded in a distorted see-saw-like geometry to two equivalent O(4) and two equivalent O(6) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(5) atom. There are nine inequivalent O sites. In the first O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Na(2) and one O(7) atom. In the second O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one B(2) atom. In the third O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one O(9) atom. In the fourth O site, O(7) is bonded in a water-like geometry to one Na(1) and one O(4) atom. In the fifth O site, O(8) is bonded in an L-shaped geometry to one Na(1) and one O(9) atom. In the sixth O site, O(9) is bonded in a bent 120 degrees geometry to one O(6) and one O(8) atom. In the seventh O site, O(1) is bonded in an L-shaped geometry to two equivalent B(1) atoms. In the eighth O site, O(2) is bonded in a water-like geometry to one B(1) and one B(2) atom. In the ninth O site, O(3) is bonded in a bent 120 degrees geometry to one B(1) and one B(2) atom. is represented by the CIF card [CIF]
data_Na2B4O17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.609
_cell_length_b   7.609
_cell_length_c   13.534
_cell_angle_alpha   79.583
_cell_angle_beta   79.583
_cell_angle_gamma   90.792
_symmetry_Int_Tables_number   1
_cell_volume   757.092
_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  0.500  0.000  0.500  1.0
  Na  Na1  1  0.000  0.500  0.000  1.0
  Na  Na2  1  0.465  0.535  0.750  1.0
  Na  Na3  1  0.535  0.465  0.250  1.0
  B  B4  1  0.966  0.224  0.723  1.0
  B  B5  1  0.776  0.034  0.777  1.0
  B  B6  1  0.034  0.776  0.277  1.0
  B  B7  1  0.224  0.966  0.223  1.0
  B  B8  1  0.827  0.215  0.893  1.0
  B  B9  1  0.785  0.173  0.607  1.0
  B  B10  1  0.173  0.785  0.107  1.0
  B  B11  1  0.215  0.827  0.393  1.0
  O  O12  1  0.965  0.035  0.750  1.0
  O  O13  1  0.035  0.965  0.250  1.0
  O  O14  1  0.956  0.310  0.806  1.0
  O  O15  1  0.690  0.044  0.694  1.0
  O  O16  1  0.044  0.690  0.194  1.0
  O  O17  1  0.310  0.956  0.306  1.0
  O  O18  1  0.912  0.292  0.632  1.0
  O  O19  1  0.708  0.088  0.868  1.0
  O  O20  1  0.088  0.708  0.368  1.0
  O  O21  1  0.292  0.912  0.132  1.0
  O  O22  1  0.312  0.230  0.691  1.0
  O  O23  1  0.770  0.688  0.809  1.0
  O  O24  1  0.688  0.770  0.309  1.0
  O  O25  1  0.230  0.312  0.191  1.0
  O  O26  1  0.819  0.258  0.984  1.0
  O  O27  1  0.742  0.181  0.516  1.0
  O  O28  1  0.181  0.742  0.016  1.0
  O  O29  1  0.258  0.819  0.484  1.0
  O  O30  1  0.304  0.397  0.906  1.0
  O  O31  1  0.603  0.696  0.594  1.0
  O  O32  1  0.696  0.603  0.094  1.0
  O  O33  1  0.397  0.304  0.406  1.0
  O  O34  1  0.343  0.070  0.698  1.0
  O  O35  1  0.930  0.657  0.802  1.0
  O  O36  1  0.657  0.930  0.302  1.0
  O  O37  1  0.070  0.343  0.198  1.0
  O  O38  1  0.888  0.817  0.001  1.0
  O  O39  1  0.183  0.112  0.499  1.0
  O  O40  1  0.112  0.183  0.999  1.0
  O  O41  1  0.817  0.888  0.501  1.0
  O  O42  1  0.774  0.761  0.578  1.0
  O  O43  1  0.239  0.226  0.922  1.0
  O  O44  1  0.226  0.239  0.422  1.0
  O  O45  1  0.761  0.774  0.078  1.0
[/CIF]
.