The compound described by Na2Ti2O5 crystallizes in the orthorhombic Pca2_1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), and two equivalent O(1) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form corner-sharing TiO4 tetrahedra. In the second Ti site, Ti(2) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form corner-sharing TiO4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Na(2), and one Ti(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Na(1), and one Ti(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Na(1), one Na(2), one Ti(1), and one Ti(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Ti(1), and one Ti(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(2), one Ti(1), and one Ti(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2Ti2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.660
_cell_length_b   9.054
_cell_length_c   10.655
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   546.032
_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  0.023  0.489  1.0
  Na  Na1  1  0.932  0.523  0.011  1.0
  Na  Na2  1  0.912  0.748  0.734  1.0
  Na  Na3  1  0.912  0.248  0.766  1.0
  Na  Na4  1  0.088  0.248  0.266  1.0
  Na  Na5  1  0.088  0.748  0.234  1.0
  Na  Na6  1  0.068  0.523  0.511  1.0
  Na  Na7  1  0.068  0.023  0.989  1.0
  Ti  Ti8  1  0.626  0.946  0.203  1.0
  Ti  Ti9  1  0.626  0.446  0.297  1.0
  Ti  Ti10  1  0.530  0.751  0.467  1.0
  Ti  Ti11  1  0.530  0.251  0.033  1.0
  Ti  Ti12  1  0.470  0.751  0.967  1.0
  Ti  Ti13  1  0.470  0.251  0.533  1.0
  Ti  Ti14  1  0.374  0.946  0.703  1.0
  Ti  Ti15  1  0.374  0.446  0.797  1.0
  O  O16  1  0.912  0.007  0.241  1.0
  O  O17  1  0.912  0.507  0.259  1.0
  O  O18  1  0.830  0.753  0.508  1.0
  O  O19  1  0.830  0.253  0.992  1.0
  O  O20  1  0.668  0.779  0.104  1.0
  O  O21  1  0.668  0.279  0.396  1.0
  O  O22  1  0.561  0.572  0.896  1.0
  O  O23  1  0.561  0.072  0.604  1.0
  O  O24  1  0.544  0.886  0.842  1.0
  O  O25  1  0.544  0.386  0.658  1.0
  O  O26  1  0.456  0.886  0.342  1.0
  O  O27  1  0.456  0.386  0.158  1.0
  O  O28  1  0.439  0.072  0.104  1.0
  O  O29  1  0.439  0.572  0.396  1.0
  O  O30  1  0.332  0.279  0.896  1.0
  O  O31  1  0.332  0.779  0.604  1.0
  O  O32  1  0.170  0.253  0.492  1.0
  O  O33  1  0.170  0.753  0.008  1.0
  O  O34  1  0.088  0.507  0.759  1.0
  O  O35  1  0.088  0.007  0.741  1.0
[/CIF]
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The compound described by Na2Ti2O5 crystallizes in the orthorhombic Pca2_1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), and two equivalent O(1) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form corner-sharing TiO4 tetrahedra. In the second Ti site, Ti(2) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form corner-sharing TiO4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Na(2), and one Ti(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Na(1), and one Ti(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Na(1), one Na(2), one Ti(1), and one Ti(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Ti(1), and one Ti(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(2), one Ti(1), and one Ti(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2Ti2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.660
_cell_length_b   9.054
_cell_length_c   10.655
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   546.032
_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  0.023  0.489  1.0
  Na  Na1  1  0.932  0.523  0.011  1.0
  Na  Na2  1  0.912  0.748  0.734  1.0
  Na  Na3  1  0.912  0.248  0.766  1.0
  Na  Na4  1  0.088  0.248  0.266  1.0
  Na  Na5  1  0.088  0.748  0.234  1.0
  Na  Na6  1  0.068  0.523  0.511  1.0
  Na  Na7  1  0.068  0.023  0.989  1.0
  Ti  Ti8  1  0.626  0.946  0.203  1.0
  Ti  Ti9  1  0.626  0.446  0.297  1.0
  Ti  Ti10  1  0.530  0.751  0.467  1.0
  Ti  Ti11  1  0.530  0.251  0.033  1.0
  Ti  Ti12  1  0.470  0.751  0.967  1.0
  Ti  Ti13  1  0.470  0.251  0.533  1.0
  Ti  Ti14  1  0.374  0.946  0.703  1.0
  Ti  Ti15  1  0.374  0.446  0.797  1.0
  O  O16  1  0.912  0.007  0.241  1.0
  O  O17  1  0.912  0.507  0.259  1.0
  O  O18  1  0.830  0.753  0.508  1.0
  O  O19  1  0.830  0.253  0.992  1.0
  O  O20  1  0.668  0.779  0.104  1.0
  O  O21  1  0.668  0.279  0.396  1.0
  O  O22  1  0.561  0.572  0.896  1.0
  O  O23  1  0.561  0.072  0.604  1.0
  O  O24  1  0.544  0.886  0.842  1.0
  O  O25  1  0.544  0.386  0.658  1.0
  O  O26  1  0.456  0.886  0.342  1.0
  O  O27  1  0.456  0.386  0.158  1.0
  O  O28  1  0.439  0.072  0.104  1.0
  O  O29  1  0.439  0.572  0.396  1.0
  O  O30  1  0.332  0.279  0.896  1.0
  O  O31  1  0.332  0.779  0.604  1.0
  O  O32  1  0.170  0.253  0.492  1.0
  O  O33  1  0.170  0.753  0.008  1.0
  O  O34  1  0.088  0.507  0.759  1.0
  O  O35  1  0.088  0.007  0.741  1.0
[/CIF]
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