The structure described by NaTi6O12 crystallizes in the orthorhombic Pmn2_1 space group. Na(1) is bonded in a 4-coordinate geometry to one O(2), one O(6), and two equivalent O(3) atoms. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(3), one O(4), one O(5), one O(8), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 47-49°. In the second Ti site, Ti(2) is bonded to one O(6), one O(8), two equivalent O(3), and two equivalent O(7) atoms to form a mixture of distorted corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the third Ti site, Ti(3) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(1) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 44-50°. In the fourth Ti site, Ti(4) is bonded to one O(2), one O(4), two equivalent O(1), 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 44-49°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ti(4) and two equivalent Ti(3) atoms. In the second O site, O(2) is bonded to one Na(1), one Ti(4), and two equivalent Ti(3) atoms to form a mixture of corner and edge-sharing ONaTi3 trigonal pyramids. In the third O site, O(3) is bonded in a see-saw-like geometry to one Na(1), one Ti(1), one Ti(2), and one Ti(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ti(4) and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Ti(3), and one Ti(4) atom. In the sixth O site, O(6) is bonded to one Na(1), one Ti(2), and two equivalent Ti(3) atoms to form a mixture of corner and edge-sharing ONaTi3 tetrahedra. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ti(2) and two equivalent Ti(1) atoms. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ti(2) and two equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_NaTi6O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.324
_cell_length_b   8.961
_cell_length_c   9.466
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   451.583
_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  0.545  0.500  0.714  1.0
  Na  Na1  1  0.045  0.000  0.286  1.0
  Ti  Ti2  1  0.968  0.169  0.890  1.0
  Ti  Ti3  1  0.977  0.500  0.905  1.0
  Ti  Ti4  1  0.968  0.831  0.890  1.0
  Ti  Ti5  1  0.531  0.830  0.396  1.0
  Ti  Ti6  1  0.540  0.500  0.383  1.0
  Ti  Ti7  1  0.531  0.170  0.396  1.0
  Ti  Ti8  1  0.468  0.669  0.110  1.0
  Ti  Ti9  1  0.477  0.000  0.095  1.0
  Ti  Ti10  1  0.468  0.331  0.110  1.0
  Ti  Ti11  1  0.040  0.000  0.617  1.0
  Ti  Ti12  1  0.031  0.670  0.604  1.0
  Ti  Ti13  1  0.031  0.330  0.604  1.0
  O  O14  1  0.834  0.836  0.516  1.0
  O  O15  1  0.819  0.500  0.523  1.0
  O  O16  1  0.834  0.164  0.516  1.0
  O  O17  1  0.817  0.669  0.788  1.0
  O  O18  1  0.817  0.331  0.788  1.0
  O  O19  1  0.822  0.000  0.788  1.0
  O  O20  1  0.686  0.669  0.286  1.0
  O  O21  1  0.686  0.331  0.286  1.0
  O  O22  1  0.660  0.000  0.285  1.0
  O  O23  1  0.678  0.834  0.022  1.0
  O  O24  1  0.678  0.166  0.022  1.0
  O  O25  1  0.672  0.500  0.017  1.0
  O  O26  1  0.334  0.664  0.484  1.0
  O  O27  1  0.319  0.000  0.477  1.0
  O  O28  1  0.334  0.336  0.484  1.0
  O  O29  1  0.317  0.169  0.212  1.0
  O  O30  1  0.317  0.831  0.212  1.0
  O  O31  1  0.322  0.500  0.212  1.0
  O  O32  1  0.186  0.169  0.714  1.0
  O  O33  1  0.160  0.500  0.715  1.0
  O  O34  1  0.186  0.831  0.714  1.0
  O  O35  1  0.172  0.000  0.983  1.0
  O  O36  1  0.178  0.666  0.978  1.0
  O  O37  1  0.178  0.334  0.978  1.0
[/CIF]
.
The structure described by NaTi6O12 crystallizes in the orthorhombic Pmn2_1 space group. Na(1) is bonded in a 4-coordinate geometry to one O(2), one O(6), and two equivalent O(3) atoms. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(3), one O(4), one O(5), one O(8), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 47-49°. In the second Ti site, Ti(2) is bonded to one O(6), one O(8), two equivalent O(3), and two equivalent O(7) atoms to form a mixture of distorted corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the third Ti site, Ti(3) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(1) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 44-50°. In the fourth Ti site, Ti(4) is bonded to one O(2), one O(4), two equivalent O(1), 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 44-49°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ti(4) and two equivalent Ti(3) atoms. In the second O site, O(2) is bonded to one Na(1), one Ti(4), and two equivalent Ti(3) atoms to form a mixture of corner and edge-sharing ONaTi3 trigonal pyramids. In the third O site, O(3) is bonded in a see-saw-like geometry to one Na(1), one Ti(1), one Ti(2), and one Ti(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ti(4) and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Ti(3), and one Ti(4) atom. In the sixth O site, O(6) is bonded to one Na(1), one Ti(2), and two equivalent Ti(3) atoms to form a mixture of corner and edge-sharing ONaTi3 tetrahedra. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ti(2) and two equivalent Ti(1) atoms. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ti(2) and two equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_NaTi6O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.324
_cell_length_b   8.961
_cell_length_c   9.466
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   451.583
_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  0.545  0.500  0.714  1.0
  Na  Na1  1  0.045  0.000  0.286  1.0
  Ti  Ti2  1  0.968  0.169  0.890  1.0
  Ti  Ti3  1  0.977  0.500  0.905  1.0
  Ti  Ti4  1  0.968  0.831  0.890  1.0
  Ti  Ti5  1  0.531  0.830  0.396  1.0
  Ti  Ti6  1  0.540  0.500  0.383  1.0
  Ti  Ti7  1  0.531  0.170  0.396  1.0
  Ti  Ti8  1  0.468  0.669  0.110  1.0
  Ti  Ti9  1  0.477  0.000  0.095  1.0
  Ti  Ti10  1  0.468  0.331  0.110  1.0
  Ti  Ti11  1  0.040  0.000  0.617  1.0
  Ti  Ti12  1  0.031  0.670  0.604  1.0
  Ti  Ti13  1  0.031  0.330  0.604  1.0
  O  O14  1  0.834  0.836  0.516  1.0
  O  O15  1  0.819  0.500  0.523  1.0
  O  O16  1  0.834  0.164  0.516  1.0
  O  O17  1  0.817  0.669  0.788  1.0
  O  O18  1  0.817  0.331  0.788  1.0
  O  O19  1  0.822  0.000  0.788  1.0
  O  O20  1  0.686  0.669  0.286  1.0
  O  O21  1  0.686  0.331  0.286  1.0
  O  O22  1  0.660  0.000  0.285  1.0
  O  O23  1  0.678  0.834  0.022  1.0
  O  O24  1  0.678  0.166  0.022  1.0
  O  O25  1  0.672  0.500  0.017  1.0
  O  O26  1  0.334  0.664  0.484  1.0
  O  O27  1  0.319  0.000  0.477  1.0
  O  O28  1  0.334  0.336  0.484  1.0
  O  O29  1  0.317  0.169  0.212  1.0
  O  O30  1  0.317  0.831  0.212  1.0
  O  O31  1  0.322  0.500  0.212  1.0
  O  O32  1  0.186  0.169  0.714  1.0
  O  O33  1  0.160  0.500  0.715  1.0
  O  O34  1  0.186  0.831  0.714  1.0
  O  O35  1  0.172  0.000  0.983  1.0
  O  O36  1  0.178  0.666  0.978  1.0
  O  O37  1  0.178  0.334  0.978  1.0
[/CIF]
.