The material structure described by NaB3SeO7 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(6), two equivalent O(1), and two equivalent O(3) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(4), and one O(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(5), one O(6), and one O(7) atom. Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are seven inequivalent O sites. In the first O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Na(1), one B(1), and one B(2) atom. In the second O site, O(5) is bonded in a bent 120 degrees geometry to one B(2) and one B(3) atom. In the third O site, O(6) is bonded in a distorted trigonal planar geometry to one Na(1), one B(2), and one B(3) atom. In the fourth O site, O(7) is bonded in a bent 120 degrees geometry to one B(1) and one B(3) atom. In the fifth O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), one B(1), and one Se(1) atom. In the sixth O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one B(1), and one Se(1) atom. In the seventh O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaB3SeO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.079
_cell_length_b   4.589
_cell_length_c   8.760
_cell_angle_alpha   81.246
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   638.786
_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
  Na  Na0  1  0.608  0.676  0.042  1.0
  Na  Na1  1  0.108  0.324  0.458  1.0
  Na  Na2  1  0.392  0.324  0.958  1.0
  Na  Na3  1  0.892  0.676  0.542  1.0
  B  B4  1  0.595  0.329  0.743  1.0
  B  B5  1  0.095  0.671  0.757  1.0
  B  B6  1  0.405  0.671  0.257  1.0
  B  B7  1  0.905  0.329  0.243  1.0
  B  B8  1  0.738  0.513  0.769  1.0
  B  B9  1  0.238  0.487  0.731  1.0
  B  B10  1  0.262  0.487  0.231  1.0
  B  B11  1  0.762  0.513  0.269  1.0
  B  B12  1  0.682  0.516  0.515  1.0
  B  B13  1  0.182  0.484  0.985  1.0
  B  B14  1  0.318  0.484  0.485  1.0
  B  B15  1  0.818  0.516  0.015  1.0
  Se  Se16  1  0.488  0.843  0.716  1.0
  Se  Se17  1  0.988  0.157  0.784  1.0
  Se  Se18  1  0.512  0.157  0.284  1.0
  Se  Se19  1  0.012  0.843  0.216  1.0
  O  O20  1  0.518  0.475  0.793  1.0
  O  O21  1  0.018  0.525  0.707  1.0
  O  O22  1  0.482  0.525  0.207  1.0
  O  O23  1  0.982  0.475  0.293  1.0
  O  O24  1  0.580  0.006  0.786  1.0
  O  O25  1  0.080  0.994  0.714  1.0
  O  O26  1  0.420  0.994  0.214  1.0
  O  O27  1  0.920  0.006  0.286  1.0
  O  O28  1  0.415  0.881  0.844  1.0
  O  O29  1  0.915  0.119  0.656  1.0
  O  O30  1  0.585  0.119  0.156  1.0
  O  O31  1  0.085  0.881  0.344  1.0
  O  O32  1  0.666  0.398  0.834  1.0
  O  O33  1  0.166  0.602  0.666  1.0
  O  O34  1  0.334  0.602  0.166  1.0
  O  O35  1  0.834  0.398  0.334  1.0
  O  O36  1  0.807  0.559  0.856  1.0
  O  O37  1  0.307  0.441  0.644  1.0
  O  O38  1  0.193  0.441  0.144  1.0
  O  O39  1  0.693  0.559  0.356  1.0
  O  O40  1  0.747  0.585  0.609  1.0
  O  O41  1  0.247  0.415  0.891  1.0
  O  O42  1  0.253  0.415  0.391  1.0
  O  O43  1  0.753  0.585  0.109  1.0
  O  O44  1  0.608  0.413  0.575  1.0
  O  O45  1  0.108  0.587  0.925  1.0
  O  O46  1  0.392  0.587  0.425  1.0
  O  O47  1  0.892  0.413  0.075  1.0
[/CIF]
.
The material structure described by NaB3SeO7 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(6), two equivalent O(1), and two equivalent O(3) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(4), and one O(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(5), one O(6), and one O(7) atom. Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are seven inequivalent O sites. In the first O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Na(1), one B(1), and one B(2) atom. In the second O site, O(5) is bonded in a bent 120 degrees geometry to one B(2) and one B(3) atom. In the third O site, O(6) is bonded in a distorted trigonal planar geometry to one Na(1), one B(2), and one B(3) atom. In the fourth O site, O(7) is bonded in a bent 120 degrees geometry to one B(1) and one B(3) atom. In the fifth O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), one B(1), and one Se(1) atom. In the sixth O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one B(1), and one Se(1) atom. In the seventh O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaB3SeO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.079
_cell_length_b   4.589
_cell_length_c   8.760
_cell_angle_alpha   81.246
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   638.786
_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
  Na  Na0  1  0.608  0.676  0.042  1.0
  Na  Na1  1  0.108  0.324  0.458  1.0
  Na  Na2  1  0.392  0.324  0.958  1.0
  Na  Na3  1  0.892  0.676  0.542  1.0
  B  B4  1  0.595  0.329  0.743  1.0
  B  B5  1  0.095  0.671  0.757  1.0
  B  B6  1  0.405  0.671  0.257  1.0
  B  B7  1  0.905  0.329  0.243  1.0
  B  B8  1  0.738  0.513  0.769  1.0
  B  B9  1  0.238  0.487  0.731  1.0
  B  B10  1  0.262  0.487  0.231  1.0
  B  B11  1  0.762  0.513  0.269  1.0
  B  B12  1  0.682  0.516  0.515  1.0
  B  B13  1  0.182  0.484  0.985  1.0
  B  B14  1  0.318  0.484  0.485  1.0
  B  B15  1  0.818  0.516  0.015  1.0
  Se  Se16  1  0.488  0.843  0.716  1.0
  Se  Se17  1  0.988  0.157  0.784  1.0
  Se  Se18  1  0.512  0.157  0.284  1.0
  Se  Se19  1  0.012  0.843  0.216  1.0
  O  O20  1  0.518  0.475  0.793  1.0
  O  O21  1  0.018  0.525  0.707  1.0
  O  O22  1  0.482  0.525  0.207  1.0
  O  O23  1  0.982  0.475  0.293  1.0
  O  O24  1  0.580  0.006  0.786  1.0
  O  O25  1  0.080  0.994  0.714  1.0
  O  O26  1  0.420  0.994  0.214  1.0
  O  O27  1  0.920  0.006  0.286  1.0
  O  O28  1  0.415  0.881  0.844  1.0
  O  O29  1  0.915  0.119  0.656  1.0
  O  O30  1  0.585  0.119  0.156  1.0
  O  O31  1  0.085  0.881  0.344  1.0
  O  O32  1  0.666  0.398  0.834  1.0
  O  O33  1  0.166  0.602  0.666  1.0
  O  O34  1  0.334  0.602  0.166  1.0
  O  O35  1  0.834  0.398  0.334  1.0
  O  O36  1  0.807  0.559  0.856  1.0
  O  O37  1  0.307  0.441  0.644  1.0
  O  O38  1  0.193  0.441  0.144  1.0
  O  O39  1  0.693  0.559  0.356  1.0
  O  O40  1  0.747  0.585  0.609  1.0
  O  O41  1  0.247  0.415  0.891  1.0
  O  O42  1  0.253  0.415  0.391  1.0
  O  O43  1  0.753  0.585  0.109  1.0
  O  O44  1  0.608  0.413  0.575  1.0
  O  O45  1  0.108  0.587  0.925  1.0
  O  O46  1  0.392  0.587  0.425  1.0
  O  O47  1  0.892  0.413  0.075  1.0
[/CIF]
.