The structure described by Ti8BiO7 crystallizes in the orthorhombic Cmmm space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted rectangular see-saw-like geometry to one Bi(1), two equivalent O(1), and two equivalent O(2) atoms. In the second Ti site, Ti(2) is bonded in a rectangular see-saw-like geometry to two equivalent Bi(1), two equivalent O(1), and two equivalent O(3) atoms. In the third Ti site, Ti(3) is bonded in a distorted T-shaped geometry to one O(2) and two equivalent O(1) atoms. Bi(1) is bonded in a 10-coordinate geometry to four equivalent Ti(1), four equivalent Ti(2), and two equivalent Bi(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Ti(2), one Ti(3), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to one Ti(3) and four equivalent Ti(1) atoms to form edge-sharing OTi5 square pyramids. In the third O site, O(3) is bonded in a square co-planar geometry to four equivalent Ti(2) atoms. is represented by the CIF file [CIF]
data_Ti8BiO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.337
_cell_length_b   9.337
_cell_length_c   3.037
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   130.233
_symmetry_Int_Tables_number   1
_cell_volume   202.107
_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  0.488  0.147  0.500  1.0
  Ti  Ti1  1  0.512  0.853  0.500  1.0
  Ti  Ti2  1  0.147  0.488  0.500  1.0
  Ti  Ti3  1  0.853  0.512  0.500  1.0
  Ti  Ti4  1  0.174  0.174  0.000  1.0
  Ti  Ti5  1  0.826  0.826  0.000  1.0
  Ti  Ti6  1  0.203  0.797  0.000  1.0
  Ti  Ti7  1  0.797  0.203  0.000  1.0
  Bi  Bi8  1  0.500  0.500  0.500  1.0
  O  O9  1  0.297  0.057  0.000  1.0
  O  O10  1  0.703  0.943  0.000  1.0
  O  O11  1  0.057  0.297  0.000  1.0
  O  O12  1  0.943  0.703  0.000  1.0
  O  O13  1  0.322  0.678  0.000  1.0
  O  O14  1  0.678  0.322  0.000  1.0
  O  O15  1  0.000  0.000  0.500  1.0
[/CIF]
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The structure described by Ti8BiO7 crystallizes in the orthorhombic Cmmm space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted rectangular see-saw-like geometry to one Bi(1), two equivalent O(1), and two equivalent O(2) atoms. In the second Ti site, Ti(2) is bonded in a rectangular see-saw-like geometry to two equivalent Bi(1), two equivalent O(1), and two equivalent O(3) atoms. In the third Ti site, Ti(3) is bonded in a distorted T-shaped geometry to one O(2) and two equivalent O(1) atoms. Bi(1) is bonded in a 10-coordinate geometry to four equivalent Ti(1), four equivalent Ti(2), and two equivalent Bi(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Ti(2), one Ti(3), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to one Ti(3) and four equivalent Ti(1) atoms to form edge-sharing OTi5 square pyramids. In the third O site, O(3) is bonded in a square co-planar geometry to four equivalent Ti(2) atoms. is represented by the CIF file [CIF]
data_Ti8BiO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.337
_cell_length_b   9.337
_cell_length_c   3.037
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   130.233
_symmetry_Int_Tables_number   1
_cell_volume   202.107
_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  0.488  0.147  0.500  1.0
  Ti  Ti1  1  0.512  0.853  0.500  1.0
  Ti  Ti2  1  0.147  0.488  0.500  1.0
  Ti  Ti3  1  0.853  0.512  0.500  1.0
  Ti  Ti4  1  0.174  0.174  0.000  1.0
  Ti  Ti5  1  0.826  0.826  0.000  1.0
  Ti  Ti6  1  0.203  0.797  0.000  1.0
  Ti  Ti7  1  0.797  0.203  0.000  1.0
  Bi  Bi8  1  0.500  0.500  0.500  1.0
  O  O9  1  0.297  0.057  0.000  1.0
  O  O10  1  0.703  0.943  0.000  1.0
  O  O11  1  0.057  0.297  0.000  1.0
  O  O12  1  0.943  0.703  0.000  1.0
  O  O13  1  0.322  0.678  0.000  1.0
  O  O14  1  0.678  0.322  0.000  1.0
  O  O15  1  0.000  0.000  0.500  1.0
[/CIF]
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