The compound described by Na3Ti6O13 crystallizes in the monoclinic C2/m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(5), two equivalent O(2), two equivalent O(6), and two equivalent O(7) atoms. In the second Na site, Na(2) is bonded in a square co-planar geometry to four equivalent O(4) atoms. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(6), one O(7), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-23°. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(4), and three equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 31°. In the third Ti site, Ti(3) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Ti(1), one Ti(2), and two equivalent Ti(3) atoms to form distorted OTi4 trigonal pyramids that share  a cornercorner with one O(7)Na4Ti2 octahedra,  a cornercorner with one O(3)Ti4 trigonal pyramid, corners with two equivalent O(1)Ti4 trigonal pyramids, and edges with two equivalent O(3)Ti4 trigonal pyramids. The corner-sharing octahedral tilt angles are 16°. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Ti(1), and one Ti(2) atom. In the third O site, O(3) is bonded to one Ti(3) and three equivalent Ti(2) atoms to form a mixture of distorted corner and edge-sharing OTi4 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(2), one Ti(2), and one Ti(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one Ti(3), and two equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Ti(1), and one Ti(3) atom. In the seventh O site, O(7) is bonded to four equivalent Na(1) and two equivalent Ti(1) atoms to form distorted ONa4Ti2 octahedra that share corners with two equivalent O(1)Ti4 trigonal pyramids and edges with two equivalent O(7)Na4Ti2 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3Ti6O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.778
_cell_length_b   7.716
_cell_length_c   9.521
_cell_angle_alpha   100.575
_cell_angle_beta   90.000
_cell_angle_gamma   104.171
_symmetry_Int_Tables_number   1
_cell_volume   264.238
_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
  Na  Na0  1  0.465  0.930  0.178  1.0
  Na  Na1  1  0.535  0.070  0.822  1.0
  Na  Na2  1  0.500  0.000  0.500  1.0
  Ti  Ti3  1  0.122  0.244  0.092  1.0
  Ti  Ti4  1  0.878  0.756  0.908  1.0
  Ti  Ti5  1  0.166  0.332  0.427  1.0
  Ti  Ti6  1  0.834  0.668  0.573  1.0
  Ti  Ti7  1  0.220  0.441  0.761  1.0
  Ti  Ti8  1  0.780  0.559  0.239  1.0
  O  O9  1  0.246  0.492  0.251  1.0
  O  O10  1  0.754  0.508  0.749  1.0
  O  O11  1  0.065  0.131  0.291  1.0
  O  O12  1  0.935  0.869  0.709  1.0
  O  O13  1  0.299  0.598  0.574  1.0
  O  O14  1  0.701  0.402  0.426  1.0
  O  O15  1  0.119  0.239  0.597  1.0
  O  O16  1  0.881  0.761  0.403  1.0
  O  O17  1  0.356  0.712  0.879  1.0
  O  O18  1  0.644  0.288  0.121  1.0
  O  O19  1  0.160  0.319  0.905  1.0
  O  O20  1  0.840  0.681  0.095  1.0
  O  O21  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Na3Ti6O13 crystallizes in the monoclinic C2/m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(5), two equivalent O(2), two equivalent O(6), and two equivalent O(7) atoms. In the second Na site, Na(2) is bonded in a square co-planar geometry to four equivalent O(4) atoms. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(6), one O(7), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-23°. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(4), and three equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 31°. In the third Ti site, Ti(3) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Ti(1), one Ti(2), and two equivalent Ti(3) atoms to form distorted OTi4 trigonal pyramids that share  a cornercorner with one O(7)Na4Ti2 octahedra,  a cornercorner with one O(3)Ti4 trigonal pyramid, corners with two equivalent O(1)Ti4 trigonal pyramids, and edges with two equivalent O(3)Ti4 trigonal pyramids. The corner-sharing octahedral tilt angles are 16°. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Ti(1), and one Ti(2) atom. In the third O site, O(3) is bonded to one Ti(3) and three equivalent Ti(2) atoms to form a mixture of distorted corner and edge-sharing OTi4 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(2), one Ti(2), and one Ti(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one Ti(3), and two equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Ti(1), and one Ti(3) atom. In the seventh O site, O(7) is bonded to four equivalent Na(1) and two equivalent Ti(1) atoms to form distorted ONa4Ti2 octahedra that share corners with two equivalent O(1)Ti4 trigonal pyramids and edges with two equivalent O(7)Na4Ti2 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3Ti6O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.778
_cell_length_b   7.716
_cell_length_c   9.521
_cell_angle_alpha   100.575
_cell_angle_beta   90.000
_cell_angle_gamma   104.171
_symmetry_Int_Tables_number   1
_cell_volume   264.238
_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
  Na  Na0  1  0.465  0.930  0.178  1.0
  Na  Na1  1  0.535  0.070  0.822  1.0
  Na  Na2  1  0.500  0.000  0.500  1.0
  Ti  Ti3  1  0.122  0.244  0.092  1.0
  Ti  Ti4  1  0.878  0.756  0.908  1.0
  Ti  Ti5  1  0.166  0.332  0.427  1.0
  Ti  Ti6  1  0.834  0.668  0.573  1.0
  Ti  Ti7  1  0.220  0.441  0.761  1.0
  Ti  Ti8  1  0.780  0.559  0.239  1.0
  O  O9  1  0.246  0.492  0.251  1.0
  O  O10  1  0.754  0.508  0.749  1.0
  O  O11  1  0.065  0.131  0.291  1.0
  O  O12  1  0.935  0.869  0.709  1.0
  O  O13  1  0.299  0.598  0.574  1.0
  O  O14  1  0.701  0.402  0.426  1.0
  O  O15  1  0.119  0.239  0.597  1.0
  O  O16  1  0.881  0.761  0.403  1.0
  O  O17  1  0.356  0.712  0.879  1.0
  O  O18  1  0.644  0.288  0.121  1.0
  O  O19  1  0.160  0.319  0.905  1.0
  O  O20  1  0.840  0.681  0.095  1.0
  O  O21  1  0.000  0.000  0.000  1.0
[/CIF]
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