The compound described by Na3BSiSbO7 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 in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Si(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form SiO4 tetrahedra that share corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-58°. Sb(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form SbO6 octahedra that share corners with four equivalent Si(1)O4 tetrahedra. 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 edge and face-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 edge and face-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 Si(1), and one Sb(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Na(2), one Si(1), and one Sb(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to two equivalent Na(2), one Si(1), and one Sb(1) atom. is represented by the CIF card [CIF]
data_Na3SiBSbO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.840
_cell_length_b   5.325
_cell_length_c   9.188
_cell_angle_alpha   89.413
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   334.612
_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  0.759  0.924  1.0
  Na  Na1  1  0.008  0.254  0.751  1.0
  Na  Na2  1  0.492  0.254  0.751  1.0
  Na  Na3  1  0.508  0.746  0.249  1.0
  Na  Na4  1  0.992  0.746  0.249  1.0
  Na  Na5  1  0.750  0.241  0.076  1.0
  Si  Si6  1  0.250  0.707  0.583  1.0
  Si  Si7  1  0.750  0.293  0.417  1.0
  B  B8  1  0.750  0.733  0.941  1.0
  B  B9  1  0.250  0.267  0.059  1.0
  Sb  Sb10  1  0.750  0.783  0.658  1.0
  Sb  Sb11  1  0.250  0.217  0.342  1.0
  O  O12  1  0.250  0.287  0.914  1.0
  O  O13  1  0.750  0.965  0.863  1.0
  O  O14  1  0.750  0.524  0.846  1.0
  O  O15  1  0.062  0.794  0.684  1.0
  O  O16  1  0.438  0.794  0.684  1.0
  O  O17  1  0.250  0.398  0.563  1.0
  O  O18  1  0.750  0.161  0.581  1.0
  O  O19  1  0.250  0.839  0.419  1.0
  O  O20  1  0.750  0.602  0.437  1.0
  O  O21  1  0.562  0.206  0.316  1.0
  O  O22  1  0.938  0.206  0.316  1.0
  O  O23  1  0.250  0.476  0.154  1.0
  O  O24  1  0.250  0.035  0.137  1.0
  O  O25  1  0.750  0.713  0.086  1.0
[/CIF]
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The compound described by Na3BSiSbO7 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 in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Si(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form SiO4 tetrahedra that share corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-58°. Sb(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form SbO6 octahedra that share corners with four equivalent Si(1)O4 tetrahedra. 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 edge and face-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 edge and face-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 Si(1), and one Sb(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Na(2), one Si(1), and one Sb(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to two equivalent Na(2), one Si(1), and one Sb(1) atom. is represented by the CIF card [CIF]
data_Na3SiBSbO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.840
_cell_length_b   5.325
_cell_length_c   9.188
_cell_angle_alpha   89.413
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   334.612
_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  0.759  0.924  1.0
  Na  Na1  1  0.008  0.254  0.751  1.0
  Na  Na2  1  0.492  0.254  0.751  1.0
  Na  Na3  1  0.508  0.746  0.249  1.0
  Na  Na4  1  0.992  0.746  0.249  1.0
  Na  Na5  1  0.750  0.241  0.076  1.0
  Si  Si6  1  0.250  0.707  0.583  1.0
  Si  Si7  1  0.750  0.293  0.417  1.0
  B  B8  1  0.750  0.733  0.941  1.0
  B  B9  1  0.250  0.267  0.059  1.0
  Sb  Sb10  1  0.750  0.783  0.658  1.0
  Sb  Sb11  1  0.250  0.217  0.342  1.0
  O  O12  1  0.250  0.287  0.914  1.0
  O  O13  1  0.750  0.965  0.863  1.0
  O  O14  1  0.750  0.524  0.846  1.0
  O  O15  1  0.062  0.794  0.684  1.0
  O  O16  1  0.438  0.794  0.684  1.0
  O  O17  1  0.250  0.398  0.563  1.0
  O  O18  1  0.750  0.161  0.581  1.0
  O  O19  1  0.250  0.839  0.419  1.0
  O  O20  1  0.750  0.602  0.437  1.0
  O  O21  1  0.562  0.206  0.316  1.0
  O  O22  1  0.938  0.206  0.316  1.0
  O  O23  1  0.250  0.476  0.154  1.0
  O  O24  1  0.250  0.035  0.137  1.0
  O  O25  1  0.750  0.713  0.086  1.0
[/CIF]
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