The material structure described by Na3BBiPO7 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. 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 46-68°. 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 Bi(1) atom to form distorted ONa3BiB trigonal bipyramids that share corners with three equivalent O(5)Na2BiP tetrahedra,  an edgeedge with one O(3)Na3BiB trigonal bipyramid, and  a faceface with one O(3)Na3BiB trigonal bipyramid. 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 ONa3BiB trigonal bipyramids that share corners with three equivalent O(5)Na2BiP tetrahedra,  an edgeedge with one O(2)Na3BiB trigonal bipyramid, and  a faceface with one O(2)Na3BiB trigonal bipyramid. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Bi(1), and one P(1) atom. In the fifth O site, O(5) is bonded to two equivalent Na(2), one Bi(1), and one P(1) atom to form distorted corner-sharing ONa2BiP tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Na(2), one Bi(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3BiBPO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.151
_cell_length_b   5.410
_cell_length_c   9.315
_cell_angle_alpha   88.928
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   360.367
_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  0.757  0.929  1.0
  Na  Na1  1  0.007  0.249  0.758  1.0
  Na  Na2  1  0.493  0.249  0.758  1.0
  Na  Na3  1  0.507  0.751  0.242  1.0
  Na  Na4  1  0.993  0.751  0.242  1.0
  Na  Na5  1  0.750  0.243  0.071  1.0
  Bi  Bi6  1  0.750  0.771  0.652  1.0
  Bi  Bi7  1  0.250  0.229  0.348  1.0
  B  B8  1  0.750  0.734  0.942  1.0
  B  B9  1  0.250  0.266  0.058  1.0
  P  P10  1  0.250  0.704  0.596  1.0
  P  P11  1  0.750  0.296  0.404  1.0
  O  O12  1  0.250  0.283  0.914  1.0
  O  O13  1  0.750  0.964  0.865  1.0
  O  O14  1  0.750  0.523  0.853  1.0
  O  O15  1  0.078  0.807  0.680  1.0
  O  O16  1  0.422  0.807  0.680  1.0
  O  O17  1  0.250  0.418  0.602  1.0
  O  O18  1  0.750  0.212  0.566  1.0
  O  O19  1  0.250  0.788  0.434  1.0
  O  O20  1  0.750  0.582  0.398  1.0
  O  O21  1  0.578  0.193  0.320  1.0
  O  O22  1  0.922  0.193  0.320  1.0
  O  O23  1  0.250  0.477  0.147  1.0
  O  O24  1  0.250  0.036  0.135  1.0
  O  O25  1  0.750  0.717  0.086  1.0
[/CIF]
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The material structure described by Na3BBiPO7 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. 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 46-68°. 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 Bi(1) atom to form distorted ONa3BiB trigonal bipyramids that share corners with three equivalent O(5)Na2BiP tetrahedra,  an edgeedge with one O(3)Na3BiB trigonal bipyramid, and  a faceface with one O(3)Na3BiB trigonal bipyramid. 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 ONa3BiB trigonal bipyramids that share corners with three equivalent O(5)Na2BiP tetrahedra,  an edgeedge with one O(2)Na3BiB trigonal bipyramid, and  a faceface with one O(2)Na3BiB trigonal bipyramid. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Bi(1), and one P(1) atom. In the fifth O site, O(5) is bonded to two equivalent Na(2), one Bi(1), and one P(1) atom to form distorted corner-sharing ONa2BiP tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Na(2), one Bi(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3BiBPO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.151
_cell_length_b   5.410
_cell_length_c   9.315
_cell_angle_alpha   88.928
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   360.367
_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  0.757  0.929  1.0
  Na  Na1  1  0.007  0.249  0.758  1.0
  Na  Na2  1  0.493  0.249  0.758  1.0
  Na  Na3  1  0.507  0.751  0.242  1.0
  Na  Na4  1  0.993  0.751  0.242  1.0
  Na  Na5  1  0.750  0.243  0.071  1.0
  Bi  Bi6  1  0.750  0.771  0.652  1.0
  Bi  Bi7  1  0.250  0.229  0.348  1.0
  B  B8  1  0.750  0.734  0.942  1.0
  B  B9  1  0.250  0.266  0.058  1.0
  P  P10  1  0.250  0.704  0.596  1.0
  P  P11  1  0.750  0.296  0.404  1.0
  O  O12  1  0.250  0.283  0.914  1.0
  O  O13  1  0.750  0.964  0.865  1.0
  O  O14  1  0.750  0.523  0.853  1.0
  O  O15  1  0.078  0.807  0.680  1.0
  O  O16  1  0.422  0.807  0.680  1.0
  O  O17  1  0.250  0.418  0.602  1.0
  O  O18  1  0.750  0.212  0.566  1.0
  O  O19  1  0.250  0.788  0.434  1.0
  O  O20  1  0.750  0.582  0.398  1.0
  O  O21  1  0.578  0.193  0.320  1.0
  O  O22  1  0.922  0.193  0.320  1.0
  O  O23  1  0.250  0.477  0.147  1.0
  O  O24  1  0.250  0.036  0.135  1.0
  O  O25  1  0.750  0.717  0.086  1.0
[/CIF]
.