The material structure described by Na3BSbPO7 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms. In the second Na site, Na(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted NaO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Na(2)O6 octahedra, and  a faceface with one Na(2)O6 octahedra. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Sb(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(6), and two equivalent O(4) atoms. P(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with six equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-64°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Na(2), and one B(1) atom. In the second O site, O(2) is bonded to one Na(1), two equivalent Na(2), one B(1), and one Sb(1) atom to form a mixture of distorted face and edge-sharing ONa3BSb trigonal bipyramids. In the third O site, O(3) is bonded to one Na(1), two equivalent Na(2), one B(1), and one Sb(1) atom to form a mixture of distorted face and edge-sharing ONa3BSb trigonal bipyramids. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Sb(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Na(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(2), one Sb(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Na3BSbPO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.951
_cell_length_b   5.472
_cell_length_c   9.319
_cell_angle_alpha   87.062
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   353.978
_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  0.760  0.930  1.0
  Na  Na1  1  0.008  0.249  0.752  1.0
  Na  Na2  1  0.492  0.249  0.752  1.0
  Na  Na3  1  0.508  0.751  0.248  1.0
  Na  Na4  1  0.992  0.751  0.248  1.0
  Na  Na5  1  0.750  0.240  0.070  1.0
  B  B6  1  0.750  0.736  0.934  1.0
  B  B7  1  0.250  0.264  0.066  1.0
  Sb  Sb8  1  0.750  0.778  0.655  1.0
  Sb  Sb9  1  0.250  0.222  0.345  1.0
  P  P10  1  0.250  0.719  0.600  1.0
  P  P11  1  0.750  0.281  0.400  1.0
  O  O12  1  0.250  0.270  0.923  1.0
  O  O13  1  0.750  0.960  0.846  1.0
  O  O14  1  0.750  0.529  0.848  1.0
  O  O15  1  0.074  0.823  0.684  1.0
  O  O16  1  0.426  0.823  0.684  1.0
  O  O17  1  0.250  0.439  0.610  1.0
  O  O18  1  0.750  0.188  0.562  1.0
  O  O19  1  0.250  0.812  0.438  1.0
  O  O20  1  0.750  0.561  0.390  1.0
  O  O21  1  0.574  0.177  0.316  1.0
  O  O22  1  0.926  0.177  0.316  1.0
  O  O23  1  0.250  0.471  0.152  1.0
  O  O24  1  0.250  0.040  0.154  1.0
  O  O25  1  0.750  0.730  0.077  1.0
[/CIF]
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The material structure described by Na3BSbPO7 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms. In the second Na site, Na(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted NaO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Na(2)O6 octahedra, and  a faceface with one Na(2)O6 octahedra. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Sb(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(6), and two equivalent O(4) atoms. P(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with six equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-64°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Na(2), and one B(1) atom. In the second O site, O(2) is bonded to one Na(1), two equivalent Na(2), one B(1), and one Sb(1) atom to form a mixture of distorted face and edge-sharing ONa3BSb trigonal bipyramids. In the third O site, O(3) is bonded to one Na(1), two equivalent Na(2), one B(1), and one Sb(1) atom to form a mixture of distorted face and edge-sharing ONa3BSb trigonal bipyramids. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Sb(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Na(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(2), one Sb(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Na3BSbPO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.951
_cell_length_b   5.472
_cell_length_c   9.319
_cell_angle_alpha   87.062
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   353.978
_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  0.760  0.930  1.0
  Na  Na1  1  0.008  0.249  0.752  1.0
  Na  Na2  1  0.492  0.249  0.752  1.0
  Na  Na3  1  0.508  0.751  0.248  1.0
  Na  Na4  1  0.992  0.751  0.248  1.0
  Na  Na5  1  0.750  0.240  0.070  1.0
  B  B6  1  0.750  0.736  0.934  1.0
  B  B7  1  0.250  0.264  0.066  1.0
  Sb  Sb8  1  0.750  0.778  0.655  1.0
  Sb  Sb9  1  0.250  0.222  0.345  1.0
  P  P10  1  0.250  0.719  0.600  1.0
  P  P11  1  0.750  0.281  0.400  1.0
  O  O12  1  0.250  0.270  0.923  1.0
  O  O13  1  0.750  0.960  0.846  1.0
  O  O14  1  0.750  0.529  0.848  1.0
  O  O15  1  0.074  0.823  0.684  1.0
  O  O16  1  0.426  0.823  0.684  1.0
  O  O17  1  0.250  0.439  0.610  1.0
  O  O18  1  0.750  0.188  0.562  1.0
  O  O19  1  0.250  0.812  0.438  1.0
  O  O20  1  0.750  0.561  0.390  1.0
  O  O21  1  0.574  0.177  0.316  1.0
  O  O22  1  0.926  0.177  0.316  1.0
  O  O23  1  0.250  0.471  0.152  1.0
  O  O24  1  0.250  0.040  0.154  1.0
  O  O25  1  0.750  0.730  0.077  1.0
[/CIF]
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