The material described by Ti11O14 crystallizes in the monoclinic C2/m space group. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. In the second Ti site, Ti(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the third Ti site, Ti(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the fourth Ti site, Ti(4) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. In the fifth Ti site, Ti(5) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the sixth Ti site, Ti(6) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ti(5), two equivalent Ti(2), and two equivalent Ti(6) atoms to form a mixture of edge and corner-sharing OTi5 square pyramids. In the second O site, O(2) is bonded to one Ti(1), one Ti(2), one Ti(3), one Ti(4), and one Ti(6) atom to form a mixture of edge and corner-sharing OTi5 square pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ti(2), one Ti(3), one Ti(5), and one Ti(6) atom. In the fourth O site, O(4) is bonded to one Ti(3), two equivalent Ti(1), and two equivalent Ti(4) atoms to form a mixture of edge and corner-sharing OTi5 square pyramids. is represented by the CIF card [CIF]
data_Ti11O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.693
_cell_length_b   10.693
_cell_length_c   5.113
_cell_angle_alpha   85.551
_cell_angle_beta   85.551
_cell_angle_gamma   152.458
_symmetry_Int_Tables_number   1
_cell_volume   255.607
_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  0.716  0.284  0.000  1.0
  Ti  Ti1  1  0.430  0.570  0.000  1.0
  Ti  Ti2  1  0.570  0.430  0.000  1.0
  Ti  Ti3  1  0.364  0.636  0.500  1.0
  Ti  Ti4  1  0.791  0.209  0.500  1.0
  Ti  Ti5  1  0.636  0.364  0.500  1.0
  Ti  Ti6  1  0.000  0.000  0.000  1.0
  Ti  Ti7  1  0.284  0.716  0.000  1.0
  Ti  Ti8  1  0.074  0.926  0.500  1.0
  Ti  Ti9  1  0.926  0.074  0.500  1.0
  Ti  Ti10  1  0.209  0.791  0.500  1.0
  O  O11  1  0.751  0.751  0.741  1.0
  O  O12  1  0.607  0.890  0.764  1.0
  O  O13  1  0.823  0.683  0.248  1.0
  O  O14  1  0.683  0.823  0.248  1.0
  O  O15  1  0.177  0.317  0.752  1.0
  O  O16  1  0.317  0.177  0.752  1.0
  O  O17  1  0.472  0.045  0.740  1.0
  O  O18  1  0.249  0.249  0.259  1.0
  O  O19  1  0.045  0.472  0.740  1.0
  O  O20  1  0.110  0.393  0.236  1.0
  O  O21  1  0.393  0.110  0.236  1.0
  O  O22  1  0.890  0.607  0.764  1.0
  O  O23  1  0.528  0.955  0.260  1.0
  O  O24  1  0.955  0.528  0.260  1.0
[/CIF]
.
The material described by Ti11O14 crystallizes in the monoclinic C2/m space group. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. In the second Ti site, Ti(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the third Ti site, Ti(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the fourth Ti site, Ti(4) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. In the fifth Ti site, Ti(5) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the sixth Ti site, Ti(6) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ti(5), two equivalent Ti(2), and two equivalent Ti(6) atoms to form a mixture of edge and corner-sharing OTi5 square pyramids. In the second O site, O(2) is bonded to one Ti(1), one Ti(2), one Ti(3), one Ti(4), and one Ti(6) atom to form a mixture of edge and corner-sharing OTi5 square pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ti(2), one Ti(3), one Ti(5), and one Ti(6) atom. In the fourth O site, O(4) is bonded to one Ti(3), two equivalent Ti(1), and two equivalent Ti(4) atoms to form a mixture of edge and corner-sharing OTi5 square pyramids. is represented by the CIF card [CIF]
data_Ti11O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.693
_cell_length_b   10.693
_cell_length_c   5.113
_cell_angle_alpha   85.551
_cell_angle_beta   85.551
_cell_angle_gamma   152.458
_symmetry_Int_Tables_number   1
_cell_volume   255.607
_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  0.716  0.284  0.000  1.0
  Ti  Ti1  1  0.430  0.570  0.000  1.0
  Ti  Ti2  1  0.570  0.430  0.000  1.0
  Ti  Ti3  1  0.364  0.636  0.500  1.0
  Ti  Ti4  1  0.791  0.209  0.500  1.0
  Ti  Ti5  1  0.636  0.364  0.500  1.0
  Ti  Ti6  1  0.000  0.000  0.000  1.0
  Ti  Ti7  1  0.284  0.716  0.000  1.0
  Ti  Ti8  1  0.074  0.926  0.500  1.0
  Ti  Ti9  1  0.926  0.074  0.500  1.0
  Ti  Ti10  1  0.209  0.791  0.500  1.0
  O  O11  1  0.751  0.751  0.741  1.0
  O  O12  1  0.607  0.890  0.764  1.0
  O  O13  1  0.823  0.683  0.248  1.0
  O  O14  1  0.683  0.823  0.248  1.0
  O  O15  1  0.177  0.317  0.752  1.0
  O  O16  1  0.317  0.177  0.752  1.0
  O  O17  1  0.472  0.045  0.740  1.0
  O  O18  1  0.249  0.249  0.259  1.0
  O  O19  1  0.045  0.472  0.740  1.0
  O  O20  1  0.110  0.393  0.236  1.0
  O  O21  1  0.393  0.110  0.236  1.0
  O  O22  1  0.890  0.607  0.764  1.0
  O  O23  1  0.528  0.955  0.260  1.0
  O  O24  1  0.955  0.528  0.260  1.0
[/CIF]
.