The compound described by Na3BSiBiO7 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 Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-62°. Bi(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form BiO6 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 in a 5-coordinate geometry to one Na(1), two equivalent Na(2), one B(1), and one Bi(1) atom. In the third O site, O(3) is bonded to one Na(1), two equivalent Na(2), one B(1), and one Bi(1) atom to form distorted corner-sharing ONa3BiB 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 Bi(1) atom. In the fifth O site, O(5) is bonded to two equivalent Na(2), one Si(1), and one Bi(1) atom to form distorted corner-sharing ONa2SiBi tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(2), one Si(1), and one Bi(1) atom. is represented by the CIF card [CIF]
data_Na3SiBiBO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.018
_cell_length_b   5.375
_cell_length_c   9.301
_cell_angle_alpha   89.491
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   350.879
_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  0.758  0.924  1.0
  Na  Na1  1  0.008  0.250  0.754  1.0
  Na  Na2  1  0.492  0.250  0.754  1.0
  Na  Na3  1  0.508  0.750  0.246  1.0
  Na  Na4  1  0.992  0.750  0.246  1.0
  Na  Na5  1  0.750  0.242  0.076  1.0
  Si  Si6  1  0.250  0.704  0.586  1.0
  Si  Si7  1  0.750  0.296  0.414  1.0
  Bi  Bi8  1  0.750  0.779  0.654  1.0
  Bi  Bi9  1  0.250  0.221  0.346  1.0
  B  B10  1  0.750  0.735  0.944  1.0
  B  B11  1  0.250  0.265  0.056  1.0
  O  O12  1  0.250  0.291  0.913  1.0
  O  O13  1  0.750  0.967  0.871  1.0
  O  O14  1  0.750  0.525  0.851  1.0
  O  O15  1  0.069  0.797  0.685  1.0
  O  O16  1  0.431  0.797  0.685  1.0
  O  O17  1  0.250  0.397  0.574  1.0
  O  O18  1  0.750  0.183  0.580  1.0
  O  O19  1  0.250  0.817  0.420  1.0
  O  O20  1  0.750  0.603  0.426  1.0
  O  O21  1  0.569  0.203  0.315  1.0
  O  O22  1  0.931  0.203  0.315  1.0
  O  O23  1  0.250  0.475  0.149  1.0
  O  O24  1  0.250  0.033  0.129  1.0
  O  O25  1  0.750  0.709  0.087  1.0
[/CIF]
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The compound described by Na3BSiBiO7 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 Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-62°. Bi(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form BiO6 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 in a 5-coordinate geometry to one Na(1), two equivalent Na(2), one B(1), and one Bi(1) atom. In the third O site, O(3) is bonded to one Na(1), two equivalent Na(2), one B(1), and one Bi(1) atom to form distorted corner-sharing ONa3BiB 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 Bi(1) atom. In the fifth O site, O(5) is bonded to two equivalent Na(2), one Si(1), and one Bi(1) atom to form distorted corner-sharing ONa2SiBi tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(2), one Si(1), and one Bi(1) atom. is represented by the CIF card [CIF]
data_Na3SiBiBO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.018
_cell_length_b   5.375
_cell_length_c   9.301
_cell_angle_alpha   89.491
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   350.879
_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  0.758  0.924  1.0
  Na  Na1  1  0.008  0.250  0.754  1.0
  Na  Na2  1  0.492  0.250  0.754  1.0
  Na  Na3  1  0.508  0.750  0.246  1.0
  Na  Na4  1  0.992  0.750  0.246  1.0
  Na  Na5  1  0.750  0.242  0.076  1.0
  Si  Si6  1  0.250  0.704  0.586  1.0
  Si  Si7  1  0.750  0.296  0.414  1.0
  Bi  Bi8  1  0.750  0.779  0.654  1.0
  Bi  Bi9  1  0.250  0.221  0.346  1.0
  B  B10  1  0.750  0.735  0.944  1.0
  B  B11  1  0.250  0.265  0.056  1.0
  O  O12  1  0.250  0.291  0.913  1.0
  O  O13  1  0.750  0.967  0.871  1.0
  O  O14  1  0.750  0.525  0.851  1.0
  O  O15  1  0.069  0.797  0.685  1.0
  O  O16  1  0.431  0.797  0.685  1.0
  O  O17  1  0.250  0.397  0.574  1.0
  O  O18  1  0.750  0.183  0.580  1.0
  O  O19  1  0.250  0.817  0.420  1.0
  O  O20  1  0.750  0.603  0.426  1.0
  O  O21  1  0.569  0.203  0.315  1.0
  O  O22  1  0.931  0.203  0.315  1.0
  O  O23  1  0.250  0.475  0.149  1.0
  O  O24  1  0.250  0.033  0.129  1.0
  O  O25  1  0.750  0.709  0.087  1.0
[/CIF]
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