data_Na3Bi(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.01
_cell_length_b   7.33
_cell_length_c   10.88
_cell_angle_alpha   90.0
_cell_angle_beta   113.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Bi(BO3)2
_chemical_formula_sum   'Na12 Bi4 B8 O24'
_cell_volume   659.21
_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  0.97  0.03  0.19  1.0
  Na  Na1  1  0.57  0.8  0.27  1.0
  Na  Na2  1  0.28  0.46  0.72  1.0
  Na  Na3  1  0.28  0.17  0.68  1.0
  Na  Na4  1  0.14  0.97  0.2  1.0
  Na  Na5  1  0.23  0.51  0.29  1.0
  Na  Na6  1  0.44  0.83  0.69  1.0
  Na  Na7  1  0.54  0.36  0.77  1.0
  Na  Na8  1  0.4  0.16  0.3  1.0
  Na  Na9  1  0.4  0.87  0.26  1.0
  Na  Na10  1  0.11  0.54  0.71  1.0
  Na  Na11  1  0.71  0.31  0.78  1.0
  Bi  Bi12  1  0.65  0.45  0.95  1.0
  Bi  Bi13  1  0.81  0.21  0.97  1.0
  Bi  Bi14  1  0.86  0.12  0.01  1.0
  Bi  Bi15  1  0.03  0.88  0.02  1.0
  B  B16  1  0.5  0.44  0.18  1.0
  B  B17  1  0.34  0.1  0.81  1.0
  B  B18  1  0.79  0.9  0.22  1.0
  B  B19  1  0.72  0.23  0.74  1.0
  B  B20  1  0.95  0.1  0.23  1.0
  B  B21  1  0.89  0.43  0.75  1.0
  B  B22  1  0.34  0.23  0.17  1.0
  B  B23  1  0.17  0.9  0.8  1.0
  O  O24  1  0.61  0.63  0.06  1.0
  O  O25  1  0.56  0.25  0.26  1.0
  O  O26  1  0.81  0.14  0.34  1.0
  O  O27  1  0.03  0.81  0.65  1.0
  O  O28  1  0.28  0.92  0.73  1.0
  O  O29  1  0.45  0.06  0.34  1.0
  O  O30  1  0.75  0.09  0.14  1.0
  O  O31  1  0.23  0.96  0.93  1.0
  O  O32  1  0.1  0.87  0.57  1.0
  O  O33  1  0.4  0.21  0.4  1.0
  O  O34  1  0.75  0.75  0.83  1.0
  O  O35  1  0.06  0.39  0.63  1.0
  O  O36  1  0.61  0.94  0.35  1.0
  O  O37  1  0.92  0.58  0.15  1.0
  O  O38  1  0.27  0.13  0.58  1.0
  O  O39  1  0.57  0.46  0.41  1.0
  O  O40  1  0.45  0.37  0.05  1.0
  O  O41  1  0.92  0.25  0.84  1.0
  O  O42  1  0.23  0.27  0.64  1.0
  O  O43  1  0.39  0.41  0.25  1.0
  O  O44  1  0.64  0.52  0.33  1.0
  O  O45  1  0.87  0.19  0.64  1.0
  O  O46  1  0.12  0.08  0.72  1.0
  O  O47  1  0.06  0.71  0.92  1.0

data_Na3Bi(BO3)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.33
_cell_length_b   9.01
_cell_length_c   10.88
_cell_angle_alpha   113.49
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Na3Bi(BO3)2
_chemical_formula_sum   'Na12 Bi4 B8 O24'
_cell_volume   659.21
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.13  0.73  0.28  1.0
  Na  Na1  2  0.16  0.61  0.7  1.0
  Na  Na2  2  0.2  0.56  0.27  1.0
  Na  Na3  2  0.31  0.3  0.22  1.0
  Na  Na4  2  0.36  0.13  0.2  1.0
  Na  Na5  2  0.49  0.56  0.31  1.0
  Bi  Bi6  2  0.21  0.19  0.03  1.0
  Bi  Bi7  2  0.45  0.02  0.02  1.0
  B  B8  2  0.23  0.33  0.81  1.0
  B  B9  2  0.23  0.95  0.23  1.0
  B  B10  2  0.43  0.12  0.25  1.0
  B  B11  2  0.44  0.5  0.82  1.0
  O  O12  2  0.04  0.22  0.93  1.0
  O  O13  2  0.09  0.91  0.84  1.0
  O  O14  2  0.14  0.2  0.66  1.0
  O  O15  2  0.21  0.27  0.58  1.0
  O  O16  2  0.25  0.45  0.74  1.0
  O  O17  2  0.27  0.78  0.36  1.0
  O  O18  2  0.29  0.39  0.94  1.0
  O  O19  2  0.39  0.61  0.35  1.0
  O  O20  2  0.41  0.28  0.73  1.0
  O  O21  2  0.42  0.92  0.15  1.0
  O  O22  2  0.46  0.44  0.59  1.0
  O  O23  2  0.48  0.97  0.35  1.0

Na Na Na Na Na Na Na Na Na Na Na Na Bi Bi Bi Bi B B B B B B B B O O O O O O O O O O O O O O O O O O O O O O O O
NaBi(BO)2Na5Bi(BO5)2 is Cyanogen Chloride-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Na5Bi(BO5)2 clusters and one NaBi(BO)2 cluster. In each Na5Bi(BO5)2 cluster, there are five inequivalent Na sites. In the first Na site, Na(2) is bonded in a 1-coordinate geometry to one O(12) and one O(4) atom. The Na(2)-O(12) bond length is 1.34 Å. The Na(2)-O(4) bond length is 2.13 Å. In the second Na site, Na(6) is bonded in a 1-coordinate geometry to one O(11) and one O(5) atom. The Na(6)-O(11) bond length is 2.63 Å. The Na(6)-O(5) bond length is 1.78 Å. In the third Na site, Na(4) is bonded in a 1-coordinate geometry to one B(2), one O(10), one O(2), and one O(6) atom. The Na(4)-B(2) bond length is 1.41 Å. The Na(4)-O(10) bond length is 1.15 Å. The Na(4)-O(2) bond length is 1.78 Å. The Na(4)-O(6) bond length is 0.89 Å. In the fourth Na site, Na(3) is bonded in a distorted single-bond geometry to one O(6) atom. The Na(3)-O(6) bond length is 1.60 Å. In the fifth Na site, Na(5) is bonded in a 1-coordinate geometry to one Bi(1) atom. The Na(5)-Bi(1) bond length is 1.94 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(5), and one O(8) atom. The B(1)-O(2) bond length is 1.58 Å. The B(1)-O(4) bond length is 1.74 Å. The B(1)-O(5) bond length is 1.52 Å. The B(1)-O(8) bond length is 1.38 Å. In the second B site, B(2) is bonded in a 2-coordinate geometry to one Na(4), one O(2), and one O(5) atom. The B(2)-O(2) bond length is 1.84 Å. The B(2)-O(5) bond length is 1.58 Å. Bi(1) is bonded in a 2-coordinate geometry to one Na(5), one O(1), and one O(11) atom. The Bi(1)-O(1) bond length is 1.80 Å. The Bi(1)-O(11) bond length is 2.72 Å. There are ten inequivalent O sites. In the first O site, O(9) is bonded in a 1-coordinate geometry to one O(4) atom. The O(9)-O(4) bond length is 1.38 Å. In the second O site, O(11) is bonded in a 2-coordinate geometry to one Na(6) and one Bi(1) atom. In the third O site, O(12) is bonded in a single-bond geometry to one Na(2) atom. In the fourth O site, O(10) is bonded in a single-bond geometry to one Na(4) atom. In the fifth O site, O(1) is bonded in a distorted single-bond geometry to one Bi(1) atom. In the sixth O site, O(2) is bonded in a 3-coordinate geometry to one Na(4), one B(1), and one B(2) atom. In the seventh O site, O(4) is bonded in a distorted L-shaped geometry to one Na(2), one B(1), and one O(9) atom. In the eighth O site, O(5) is bonded in a 3-coordinate geometry to one Na(6), one B(1), and one B(2) atom. In the ninth O site, O(6) is bonded in a distorted single-bond geometry to one Na(3) and one Na(4) atom. In the tenth O site, O(8) is bonded in a single-bond geometry to one B(1) atom. In the NaBi(BO)2 cluster, Na(1) is bonded in a single-bond geometry to one B(4), one Bi(2), and one O(7) atom. The Na(1)-B(4) bond length is 0.74 Å. The Na(1)-Bi(2) bond length is 1.94 Å. The Na(1)-O(7) bond length is 1.83 Å. There are two inequivalent B sites. In the first B site, B(3) is bonded in a distorted single-bond geometry to one O(3) and one O(7) atom. The B(3)-O(3) bond length is 2.15 Å. The B(3)-O(7) bond length is 1.61 Å. In the second B site, B(4) is bonded in a single-bond geometry to one Na(1), one O(3), and one O(7) atom. The B(4)-O(3) bond length is 2.09 Å. The B(4)-O(7) bond length is 1.68 Å. Bi(2) is bonded in a 3-coordinate geometry to one Na(1), one Bi(2), and one O(7) atom. The Bi(2)-Bi(2) bond length is 0.85 Å. The Bi(2)-O(7) bond length is 1.98 Å. There are two inequivalent O sites. In the first O site, O(3) is bonded in a 2-coordinate geometry to one B(3) and one B(4) atom. In the second O site, O(7) is bonded in a 4-coordinate geometry to one Na(1), one B(3), one B(4), and one Bi(2) atom.