The compound described by Na3B7O12 crystallizes in the triclinic P-1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(2), one O(6), and one O(7) atom. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(5), and one O(9) atom. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(3), one O(4), one O(6), and one O(8) atom. There are seven inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(10), one O(2), and one O(6) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(9) atom. In the third B site, B(3) is bonded in a tetrahedral geometry to one O(1), one O(10), one O(11), and one O(9) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(1), one O(12), and one O(5) atom. In the fifth B site, B(5) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form corner-sharing BO4 tetrahedra. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(11), one O(12), and one O(8) atom. In the seventh B site, B(7) is bonded to one O(3), one O(5), one O(7), and one O(8) atom to form corner-sharing BO4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Na(3), one B(3), and one B(4) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one B(1), and one B(5) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Na(3), one B(2), and one B(7) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Na(2), one Na(3), one B(2), and one B(5) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(2), one B(4), and one B(7) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one B(1), and one B(5) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Na(1), one B(5), and one B(7) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Na(3), one B(6), and one B(7) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Na(2), one B(2), and one B(3) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Na(1), one B(1), and one B(3) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one B(3), and one B(6) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one B(4) and one B(6) atom. is represented by the CIF file [CIF]
data_Na3B7O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.651
_cell_length_b   8.203
_cell_length_c   8.861
_cell_angle_alpha   95.596
_cell_angle_beta   100.598
_cell_angle_gamma   99.545
_symmetry_Int_Tables_number   1
_cell_volume   464.443
_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  0.766  0.229  0.979  1.0
  Na  Na1  1  0.234  0.771  0.021  1.0
  Na  Na2  1  0.451  0.920  0.713  1.0
  Na  Na3  1  0.549  0.080  0.287  1.0
  Na  Na4  1  0.933  0.268  0.664  1.0
  Na  Na5  1  0.067  0.732  0.336  1.0
  B  B6  1  0.772  0.870  0.048  1.0
  B  B7  1  0.228  0.130  0.952  1.0
  B  B8  1  0.789  0.848  0.526  1.0
  B  B9  1  0.211  0.152  0.474  1.0
  B  B10  1  0.402  0.269  0.754  1.0
  B  B11  1  0.598  0.731  0.246  1.0
  B  B12  1  0.343  0.551  0.707  1.0
  B  B13  1  0.657  0.449  0.293  1.0
  B  B14  1  0.903  0.956  0.809  1.0
  B  B15  1  0.097  0.044  0.191  1.0
  B  B16  1  0.690  0.495  0.725  1.0
  B  B17  1  0.310  0.505  0.275  1.0
  B  B18  1  0.013  0.696  0.694  1.0
  B  B19  1  0.987  0.304  0.306  1.0
  O  O20  1  0.283  0.403  0.757  1.0
  O  O21  1  0.740  0.924  0.905  1.0
  O  O22  1  0.087  0.268  0.457  1.0
  O  O23  1  0.913  0.732  0.543  1.0
  O  O24  1  0.260  0.076  0.095  1.0
  O  O25  1  0.785  0.964  0.650  1.0
  O  O26  1  0.774  0.330  0.316  1.0
  O  O27  1  0.226  0.670  0.684  1.0
  O  O28  1  0.969  0.875  0.133  1.0
  O  O29  1  0.031  0.125  0.867  1.0
  O  O30  1  0.963  0.164  0.188  1.0
  O  O31  1  0.037  0.836  0.812  1.0
  O  O32  1  0.104  0.459  0.268  1.0
  O  O33  1  0.896  0.541  0.732  1.0
  O  O34  1  0.673  0.858  0.384  1.0
  O  O35  1  0.327  0.142  0.616  1.0
  O  O36  1  0.402  0.185  0.895  1.0
  O  O37  1  0.598  0.815  0.105  1.0
  O  O38  1  0.626  0.338  0.760  1.0
  O  O39  1  0.374  0.662  0.240  1.0
  O  O40  1  0.547  0.596  0.685  1.0
  O  O41  1  0.453  0.404  0.315  1.0
  O  O42  1  0.215  0.036  0.350  1.0
  O  O43  1  0.717  0.597  0.243  1.0
[/CIF]
.
The compound described by Na3B7O12 crystallizes in the triclinic P-1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(2), one O(6), and one O(7) atom. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(5), and one O(9) atom. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(3), one O(4), one O(6), and one O(8) atom. There are seven inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(10), one O(2), and one O(6) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(9) atom. In the third B site, B(3) is bonded in a tetrahedral geometry to one O(1), one O(10), one O(11), and one O(9) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(1), one O(12), and one O(5) atom. In the fifth B site, B(5) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form corner-sharing BO4 tetrahedra. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(11), one O(12), and one O(8) atom. In the seventh B site, B(7) is bonded to one O(3), one O(5), one O(7), and one O(8) atom to form corner-sharing BO4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Na(3), one B(3), and one B(4) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one B(1), and one B(5) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Na(3), one B(2), and one B(7) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Na(2), one Na(3), one B(2), and one B(5) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(2), one B(4), and one B(7) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one B(1), and one B(5) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Na(1), one B(5), and one B(7) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Na(3), one B(6), and one B(7) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Na(2), one B(2), and one B(3) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Na(1), one B(1), and one B(3) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one B(3), and one B(6) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one B(4) and one B(6) atom. is represented by the CIF file [CIF]
data_Na3B7O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.651
_cell_length_b   8.203
_cell_length_c   8.861
_cell_angle_alpha   95.596
_cell_angle_beta   100.598
_cell_angle_gamma   99.545
_symmetry_Int_Tables_number   1
_cell_volume   464.443
_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  0.766  0.229  0.979  1.0
  Na  Na1  1  0.234  0.771  0.021  1.0
  Na  Na2  1  0.451  0.920  0.713  1.0
  Na  Na3  1  0.549  0.080  0.287  1.0
  Na  Na4  1  0.933  0.268  0.664  1.0
  Na  Na5  1  0.067  0.732  0.336  1.0
  B  B6  1  0.772  0.870  0.048  1.0
  B  B7  1  0.228  0.130  0.952  1.0
  B  B8  1  0.789  0.848  0.526  1.0
  B  B9  1  0.211  0.152  0.474  1.0
  B  B10  1  0.402  0.269  0.754  1.0
  B  B11  1  0.598  0.731  0.246  1.0
  B  B12  1  0.343  0.551  0.707  1.0
  B  B13  1  0.657  0.449  0.293  1.0
  B  B14  1  0.903  0.956  0.809  1.0
  B  B15  1  0.097  0.044  0.191  1.0
  B  B16  1  0.690  0.495  0.725  1.0
  B  B17  1  0.310  0.505  0.275  1.0
  B  B18  1  0.013  0.696  0.694  1.0
  B  B19  1  0.987  0.304  0.306  1.0
  O  O20  1  0.283  0.403  0.757  1.0
  O  O21  1  0.740  0.924  0.905  1.0
  O  O22  1  0.087  0.268  0.457  1.0
  O  O23  1  0.913  0.732  0.543  1.0
  O  O24  1  0.260  0.076  0.095  1.0
  O  O25  1  0.785  0.964  0.650  1.0
  O  O26  1  0.774  0.330  0.316  1.0
  O  O27  1  0.226  0.670  0.684  1.0
  O  O28  1  0.969  0.875  0.133  1.0
  O  O29  1  0.031  0.125  0.867  1.0
  O  O30  1  0.963  0.164  0.188  1.0
  O  O31  1  0.037  0.836  0.812  1.0
  O  O32  1  0.104  0.459  0.268  1.0
  O  O33  1  0.896  0.541  0.732  1.0
  O  O34  1  0.673  0.858  0.384  1.0
  O  O35  1  0.327  0.142  0.616  1.0
  O  O36  1  0.402  0.185  0.895  1.0
  O  O37  1  0.598  0.815  0.105  1.0
  O  O38  1  0.626  0.338  0.760  1.0
  O  O39  1  0.374  0.662  0.240  1.0
  O  O40  1  0.547  0.596  0.685  1.0
  O  O41  1  0.453  0.404  0.315  1.0
  O  O42  1  0.215  0.036  0.350  1.0
  O  O43  1  0.717  0.597  0.243  1.0
[/CIF]
.