The structure described by Bi6TiP2O16 crystallizes in the monoclinic C2 space group. Ti(1) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(7) atoms to form TiO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to one O(1), one O(6), one O(7), two equivalent O(2), and two equivalent O(8) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), one O(8), and one O(9) atom. In the third Bi site, Bi(3) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(8), and one O(9) atom. P(1) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-26°. There are nine inequivalent O sites. In the first O site, O(9) is bonded to two equivalent Bi(2) and two equivalent Bi(3) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the second O site, O(1) is bonded in a single-bond geometry to one Bi(1) and one P(1) atom. In the third O site, O(2) is bonded to one Bi(2), one Bi(3), and two equivalent Bi(1) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the fourth O site, O(3) is bonded to two equivalent Bi(2) and two equivalent Bi(3) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the fifth O site, O(4) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the sixth O site, O(5) is bonded in a single-bond geometry to one Bi(2) and one P(1) atom. In the seventh O site, O(6) is bonded in a 3-coordinate geometry to one Ti(1), one Bi(1), and one Bi(2) atom. In the eighth O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ti(1), one Bi(1), and one P(1) atom. In the ninth O site, O(8) is bonded to one Bi(2), one Bi(3), and two equivalent Bi(1) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. is represented by the CIF card [CIF]
data_TiBi6(PO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.204
_cell_length_b   8.204
_cell_length_c   11.359
_cell_angle_alpha   50.350
_cell_angle_beta   50.350
_cell_angle_gamma   38.711
_symmetry_Int_Tables_number   1
_cell_volume   352.165
_cell_formula_units_Z   1
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
  Ti  Ti0  1  0.762  0.238  0.500  1.0
  Bi  Bi1  1  0.369  0.954  0.513  1.0
  Bi  Bi2  1  0.046  0.631  0.487  1.0
  Bi  Bi3  1  0.763  0.257  0.822  1.0
  Bi  Bi4  1  0.743  0.237  0.178  1.0
  Bi  Bi5  1  0.090  0.586  0.152  1.0
  Bi  Bi6  1  0.414  0.910  0.848  1.0
  P  P7  1  0.136  0.578  0.776  1.0
  P  P8  1  0.422  0.864  0.224  1.0
  O  O9  1  0.202  0.658  0.824  1.0
  O  O10  1  0.342  0.798  0.176  1.0
  O  O11  1  0.681  0.662  0.677  1.0
  O  O12  1  0.338  0.319  0.323  1.0
  O  O13  1  0.497  0.503  0.000  1.0
  O  O14  1  0.617  0.587  0.334  1.0
  O  O15  1  0.413  0.383  0.666  1.0
  O  O16  1  0.022  0.427  0.912  1.0
  O  O17  1  0.573  0.978  0.088  1.0
  O  O18  1  0.728  0.093  0.447  1.0
  O  O19  1  0.907  0.272  0.553  1.0
  O  O20  1  0.939  0.835  0.668  1.0
  O  O21  1  0.165  0.061  0.332  1.0
  O  O22  1  0.184  0.158  0.679  1.0
  O  O23  1  0.842  0.816  0.321  1.0
  O  O24  1  0.007  0.993  0.000  1.0
[/CIF]
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The structure described by Bi6TiP2O16 crystallizes in the monoclinic C2 space group. Ti(1) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(7) atoms to form TiO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to one O(1), one O(6), one O(7), two equivalent O(2), and two equivalent O(8) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), one O(8), and one O(9) atom. In the third Bi site, Bi(3) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(8), and one O(9) atom. P(1) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-26°. There are nine inequivalent O sites. In the first O site, O(9) is bonded to two equivalent Bi(2) and two equivalent Bi(3) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the second O site, O(1) is bonded in a single-bond geometry to one Bi(1) and one P(1) atom. In the third O site, O(2) is bonded to one Bi(2), one Bi(3), and two equivalent Bi(1) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the fourth O site, O(3) is bonded to two equivalent Bi(2) and two equivalent Bi(3) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the fifth O site, O(4) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the sixth O site, O(5) is bonded in a single-bond geometry to one Bi(2) and one P(1) atom. In the seventh O site, O(6) is bonded in a 3-coordinate geometry to one Ti(1), one Bi(1), and one Bi(2) atom. In the eighth O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ti(1), one Bi(1), and one P(1) atom. In the ninth O site, O(8) is bonded to one Bi(2), one Bi(3), and two equivalent Bi(1) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. is represented by the CIF card [CIF]
data_TiBi6(PO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.204
_cell_length_b   8.204
_cell_length_c   11.359
_cell_angle_alpha   50.350
_cell_angle_beta   50.350
_cell_angle_gamma   38.711
_symmetry_Int_Tables_number   1
_cell_volume   352.165
_cell_formula_units_Z   1
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
  Ti  Ti0  1  0.762  0.238  0.500  1.0
  Bi  Bi1  1  0.369  0.954  0.513  1.0
  Bi  Bi2  1  0.046  0.631  0.487  1.0
  Bi  Bi3  1  0.763  0.257  0.822  1.0
  Bi  Bi4  1  0.743  0.237  0.178  1.0
  Bi  Bi5  1  0.090  0.586  0.152  1.0
  Bi  Bi6  1  0.414  0.910  0.848  1.0
  P  P7  1  0.136  0.578  0.776  1.0
  P  P8  1  0.422  0.864  0.224  1.0
  O  O9  1  0.202  0.658  0.824  1.0
  O  O10  1  0.342  0.798  0.176  1.0
  O  O11  1  0.681  0.662  0.677  1.0
  O  O12  1  0.338  0.319  0.323  1.0
  O  O13  1  0.497  0.503  0.000  1.0
  O  O14  1  0.617  0.587  0.334  1.0
  O  O15  1  0.413  0.383  0.666  1.0
  O  O16  1  0.022  0.427  0.912  1.0
  O  O17  1  0.573  0.978  0.088  1.0
  O  O18  1  0.728  0.093  0.447  1.0
  O  O19  1  0.907  0.272  0.553  1.0
  O  O20  1  0.939  0.835  0.668  1.0
  O  O21  1  0.165  0.061  0.332  1.0
  O  O22  1  0.184  0.158  0.679  1.0
  O  O23  1  0.842  0.816  0.321  1.0
  O  O24  1  0.007  0.993  0.000  1.0
[/CIF]
.