The structure described by Na2BBiPO7 crystallizes in the monoclinic P2_1/m space group. Na(1) 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. 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 distorted BiO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. 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 four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-65°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one B(1) atom. In the second O site, O(2) is bonded in a distorted trigonal pyramidal geometry to two equivalent Na(1), one B(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Na(1), one B(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Bi(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Bi(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Na(1), one Bi(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Na2BiBPO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.060
_cell_length_b   5.477
_cell_length_c   9.499
_cell_angle_alpha   87.476
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   366.967
_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  0.002  0.240  0.785  1.0
  Na  Na1  1  0.498  0.240  0.785  1.0
  Na  Na2  1  0.502  0.760  0.215  1.0
  Na  Na3  1  0.998  0.760  0.215  1.0
  Bi  Bi4  1  0.750  0.787  0.631  1.0
  Bi  Bi5  1  0.250  0.213  0.369  1.0
  B  B6  1  0.750  0.738  0.915  1.0
  B  B7  1  0.250  0.262  0.085  1.0
  P  P8  1  0.250  0.726  0.593  1.0
  P  P9  1  0.750  0.274  0.407  1.0
  O  O10  1  0.250  0.296  0.941  1.0
  O  O11  1  0.750  0.959  0.841  1.0
  O  O12  1  0.750  0.529  0.837  1.0
  O  O13  1  0.075  0.846  0.661  1.0
  O  O14  1  0.425  0.846  0.661  1.0
  O  O15  1  0.750  0.204  0.571  1.0
  O  O16  1  0.250  0.445  0.610  1.0
  O  O17  1  0.750  0.555  0.390  1.0
  O  O18  1  0.250  0.796  0.429  1.0
  O  O19  1  0.575  0.154  0.339  1.0
  O  O20  1  0.925  0.154  0.339  1.0
  O  O21  1  0.250  0.471  0.163  1.0
  O  O22  1  0.250  0.041  0.159  1.0
  O  O23  1  0.750  0.704  0.059  1.0
[/CIF]
.
The structure described by Na2BBiPO7 crystallizes in the monoclinic P2_1/m space group. Na(1) 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. 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 distorted BiO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. 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 four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-65°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one B(1) atom. In the second O site, O(2) is bonded in a distorted trigonal pyramidal geometry to two equivalent Na(1), one B(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Na(1), one B(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Bi(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Bi(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Na(1), one Bi(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Na2BiBPO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.060
_cell_length_b   5.477
_cell_length_c   9.499
_cell_angle_alpha   87.476
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   366.967
_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  0.002  0.240  0.785  1.0
  Na  Na1  1  0.498  0.240  0.785  1.0
  Na  Na2  1  0.502  0.760  0.215  1.0
  Na  Na3  1  0.998  0.760  0.215  1.0
  Bi  Bi4  1  0.750  0.787  0.631  1.0
  Bi  Bi5  1  0.250  0.213  0.369  1.0
  B  B6  1  0.750  0.738  0.915  1.0
  B  B7  1  0.250  0.262  0.085  1.0
  P  P8  1  0.250  0.726  0.593  1.0
  P  P9  1  0.750  0.274  0.407  1.0
  O  O10  1  0.250  0.296  0.941  1.0
  O  O11  1  0.750  0.959  0.841  1.0
  O  O12  1  0.750  0.529  0.837  1.0
  O  O13  1  0.075  0.846  0.661  1.0
  O  O14  1  0.425  0.846  0.661  1.0
  O  O15  1  0.750  0.204  0.571  1.0
  O  O16  1  0.250  0.445  0.610  1.0
  O  O17  1  0.750  0.555  0.390  1.0
  O  O18  1  0.250  0.796  0.429  1.0
  O  O19  1  0.575  0.154  0.339  1.0
  O  O20  1  0.925  0.154  0.339  1.0
  O  O21  1  0.250  0.471  0.163  1.0
  O  O22  1  0.250  0.041  0.159  1.0
  O  O23  1  0.750  0.704  0.059  1.0
[/CIF]
.