The material structure described by Na2TiF5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one F(3), one F(4), one F(5), two equivalent F(1), and two equivalent F(2) atoms to form distorted NaF7 pentagonal bipyramids that share  a cornercorner with one Ti(1)F6 octahedra,  a cornercorner with one Ti(2)F6 octahedra,  an edgeedge with one Ti(2)F6 octahedra, edges with two equivalent Ti(1)F6 octahedra, and edges with two equivalent Na(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 24-38°. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one F(1), one F(2), one F(3), two equivalent F(4), and two equivalent F(5) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form TiF6 octahedra that share corners with two equivalent Ti(2)F6 octahedra, corners with two equivalent Na(1)F7 pentagonal bipyramids, and edges with four equivalent Na(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 48°. In the second Ti site, Ti(2) is bonded to two equivalent F(3), two equivalent F(4), and two equivalent F(5) atoms to form TiF6 octahedra that share corners with two equivalent Ti(1)F6 octahedra, corners with two equivalent Na(1)F7 pentagonal bipyramids, and edges with two equivalent Na(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 48°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Na(1), and one Ti(1) atom. In the second F site, F(2) is bonded to one Na(2), two equivalent Na(1), and one Ti(1) atom to form distorted FNa3Ti tetrahedra that share corners with three equivalent F(3)Na2Ti2 tetrahedra, corners with three equivalent F(2)Na3Ti tetrahedra, corners with four equivalent F(4)Na3Ti trigonal pyramids, and  an edgeedge with one F(3)Na2Ti2 tetrahedra. In the third F site, F(3) is bonded to one Na(1), one Na(2), one Ti(1), and one Ti(2) atom to form distorted FNa2Ti2 tetrahedra that share corners with two equivalent F(3)Na2Ti2 tetrahedra, corners with three equivalent F(2)Na3Ti tetrahedra, corners with three equivalent F(4)Na3Ti trigonal pyramids,  an edgeedge with one F(2)Na3Ti tetrahedra, and  an edgeedge with one F(4)Na3Ti trigonal pyramid. In the fourth F site, F(4) is bonded to one Na(1), two equivalent Na(2), and one Ti(2) atom to form distorted FNa3Ti trigonal pyramids that share corners with three equivalent F(3)Na2Ti2 tetrahedra, corners with four equivalent F(2)Na3Ti tetrahedra, corners with three equivalent F(4)Na3Ti trigonal pyramids, and  an edgeedge with one F(3)Na2Ti2 tetrahedra. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Na(2), and one Ti(2) atom. is represented by the CIF file [CIF]
data_Na2TiF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.257
_cell_length_b   7.432
_cell_length_c   11.086
_cell_angle_alpha   71.996
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   411.912
_cell_formula_units_Z   4
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  0.932  0.346  0.315  1.0
  Na  Na1  1  0.432  0.654  0.185  1.0
  Na  Na2  1  0.068  0.654  0.685  1.0
  Na  Na3  1  0.568  0.346  0.815  1.0
  Na  Na4  1  0.495  0.155  0.138  1.0
  Na  Na5  1  0.995  0.845  0.362  1.0
  Na  Na6  1  0.505  0.845  0.862  1.0
  Na  Na7  1  0.005  0.155  0.638  1.0
  Ti  Ti8  1  0.500  0.500  0.500  1.0
  Ti  Ti9  1  0.000  0.500  0.000  1.0
  Ti  Ti10  1  0.500  0.000  0.500  1.0
  Ti  Ti11  1  0.000  0.000  0.000  1.0
  F  F12  1  0.764  0.481  0.627  1.0
  F  F13  1  0.264  0.519  0.873  1.0
  F  F14  1  0.236  0.519  0.373  1.0
  F  F15  1  0.736  0.481  0.127  1.0
  F  F16  1  0.714  0.620  0.354  1.0
  F  F17  1  0.214  0.380  0.146  1.0
  F  F18  1  0.286  0.380  0.646  1.0
  F  F19  1  0.786  0.620  0.854  1.0
  F  F20  1  0.658  0.252  0.496  1.0
  F  F21  1  0.158  0.748  0.004  1.0
  F  F22  1  0.342  0.748  0.504  1.0
  F  F23  1  0.842  0.252  0.996  1.0
  F  F24  1  0.831  0.058  0.829  1.0
  F  F25  1  0.331  0.942  0.671  1.0
  F  F26  1  0.169  0.942  0.171  1.0
  F  F27  1  0.669  0.058  0.329  1.0
  F  F28  1  0.690  0.888  0.075  1.0
  F  F29  1  0.190  0.112  0.425  1.0
  F  F30  1  0.310  0.112  0.925  1.0
  F  F31  1  0.810  0.888  0.575  1.0
[/CIF]
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The material structure described by Na2TiF5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one F(3), one F(4), one F(5), two equivalent F(1), and two equivalent F(2) atoms to form distorted NaF7 pentagonal bipyramids that share  a cornercorner with one Ti(1)F6 octahedra,  a cornercorner with one Ti(2)F6 octahedra,  an edgeedge with one Ti(2)F6 octahedra, edges with two equivalent Ti(1)F6 octahedra, and edges with two equivalent Na(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 24-38°. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one F(1), one F(2), one F(3), two equivalent F(4), and two equivalent F(5) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form TiF6 octahedra that share corners with two equivalent Ti(2)F6 octahedra, corners with two equivalent Na(1)F7 pentagonal bipyramids, and edges with four equivalent Na(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 48°. In the second Ti site, Ti(2) is bonded to two equivalent F(3), two equivalent F(4), and two equivalent F(5) atoms to form TiF6 octahedra that share corners with two equivalent Ti(1)F6 octahedra, corners with two equivalent Na(1)F7 pentagonal bipyramids, and edges with two equivalent Na(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 48°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Na(1), and one Ti(1) atom. In the second F site, F(2) is bonded to one Na(2), two equivalent Na(1), and one Ti(1) atom to form distorted FNa3Ti tetrahedra that share corners with three equivalent F(3)Na2Ti2 tetrahedra, corners with three equivalent F(2)Na3Ti tetrahedra, corners with four equivalent F(4)Na3Ti trigonal pyramids, and  an edgeedge with one F(3)Na2Ti2 tetrahedra. In the third F site, F(3) is bonded to one Na(1), one Na(2), one Ti(1), and one Ti(2) atom to form distorted FNa2Ti2 tetrahedra that share corners with two equivalent F(3)Na2Ti2 tetrahedra, corners with three equivalent F(2)Na3Ti tetrahedra, corners with three equivalent F(4)Na3Ti trigonal pyramids,  an edgeedge with one F(2)Na3Ti tetrahedra, and  an edgeedge with one F(4)Na3Ti trigonal pyramid. In the fourth F site, F(4) is bonded to one Na(1), two equivalent Na(2), and one Ti(2) atom to form distorted FNa3Ti trigonal pyramids that share corners with three equivalent F(3)Na2Ti2 tetrahedra, corners with four equivalent F(2)Na3Ti tetrahedra, corners with three equivalent F(4)Na3Ti trigonal pyramids, and  an edgeedge with one F(3)Na2Ti2 tetrahedra. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Na(2), and one Ti(2) atom. is represented by the CIF file [CIF]
data_Na2TiF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.257
_cell_length_b   7.432
_cell_length_c   11.086
_cell_angle_alpha   71.996
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   411.912
_cell_formula_units_Z   4
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  0.932  0.346  0.315  1.0
  Na  Na1  1  0.432  0.654  0.185  1.0
  Na  Na2  1  0.068  0.654  0.685  1.0
  Na  Na3  1  0.568  0.346  0.815  1.0
  Na  Na4  1  0.495  0.155  0.138  1.0
  Na  Na5  1  0.995  0.845  0.362  1.0
  Na  Na6  1  0.505  0.845  0.862  1.0
  Na  Na7  1  0.005  0.155  0.638  1.0
  Ti  Ti8  1  0.500  0.500  0.500  1.0
  Ti  Ti9  1  0.000  0.500  0.000  1.0
  Ti  Ti10  1  0.500  0.000  0.500  1.0
  Ti  Ti11  1  0.000  0.000  0.000  1.0
  F  F12  1  0.764  0.481  0.627  1.0
  F  F13  1  0.264  0.519  0.873  1.0
  F  F14  1  0.236  0.519  0.373  1.0
  F  F15  1  0.736  0.481  0.127  1.0
  F  F16  1  0.714  0.620  0.354  1.0
  F  F17  1  0.214  0.380  0.146  1.0
  F  F18  1  0.286  0.380  0.646  1.0
  F  F19  1  0.786  0.620  0.854  1.0
  F  F20  1  0.658  0.252  0.496  1.0
  F  F21  1  0.158  0.748  0.004  1.0
  F  F22  1  0.342  0.748  0.504  1.0
  F  F23  1  0.842  0.252  0.996  1.0
  F  F24  1  0.831  0.058  0.829  1.0
  F  F25  1  0.331  0.942  0.671  1.0
  F  F26  1  0.169  0.942  0.171  1.0
  F  F27  1  0.669  0.058  0.329  1.0
  F  F28  1  0.690  0.888  0.075  1.0
  F  F29  1  0.190  0.112  0.425  1.0
  F  F30  1  0.310  0.112  0.925  1.0
  F  F31  1  0.810  0.888  0.575  1.0
[/CIF]
.