The material structure described by (NaTi2SiO8)2O2 crystallizes in the tetragonal P4_2/mcm space group. The structure consists of two hydrogen peroxide molecules inside a NaTi2SiO8 framework. In the NaTi2SiO8 framework, Na(1) is bonded in a 6-coordinate geometry to two equivalent O(4) and four equivalent O(1) atoms. Ti(1) is bonded in a 6-coordinate geometry to one O(3), two equivalent O(1), and three equivalent O(2) atoms. Si(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(2) is bonded in a trigonal non-coplanar geometry to three equivalent Ti(1) atoms. In the second O site, O(3) is bonded in a linear geometry to two equivalent Ti(1) atoms. In the third O site, O(4) is bonded in a linear geometry to two equivalent Na(1) atoms. In the fourth O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Ti(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_NaTi2SiO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.905
_cell_length_b   7.905
_cell_length_c   12.379
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   773.561
_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  0.500  0.000  0.000  1.0
  Na  Na1  1  0.500  0.000  0.500  1.0
  Na  Na2  1  0.000  0.500  0.000  1.0
  Na  Na3  1  0.000  0.500  0.500  1.0
  Ti  Ti4  1  0.851  0.149  0.353  1.0
  Ti  Ti5  1  0.149  0.851  0.353  1.0
  Ti  Ti6  1  0.851  0.851  0.853  1.0
  Ti  Ti7  1  0.149  0.149  0.853  1.0
  Ti  Ti8  1  0.851  0.149  0.647  1.0
  Ti  Ti9  1  0.149  0.851  0.647  1.0
  Ti  Ti10  1  0.851  0.851  0.147  1.0
  Ti  Ti11  1  0.149  0.149  0.147  1.0
  Si  Si12  1  0.500  0.000  0.250  1.0
  Si  Si13  1  0.500  0.000  0.750  1.0
  Si  Si14  1  0.000  0.500  0.250  1.0
  Si  Si15  1  0.000  0.500  0.750  1.0
  O  O16  1  0.618  0.116  0.329  1.0
  O  O17  1  0.382  0.884  0.329  1.0
  O  O18  1  0.618  0.884  0.829  1.0
  O  O19  1  0.382  0.116  0.829  1.0
  O  O20  1  0.618  0.116  0.671  1.0
  O  O21  1  0.382  0.884  0.671  1.0
  O  O22  1  0.618  0.884  0.171  1.0
  O  O23  1  0.382  0.116  0.171  1.0
  O  O24  1  0.116  0.618  0.329  1.0
  O  O25  1  0.884  0.382  0.329  1.0
  O  O26  1  0.884  0.618  0.829  1.0
  O  O27  1  0.116  0.382  0.829  1.0
  O  O28  1  0.116  0.618  0.671  1.0
  O  O29  1  0.884  0.382  0.671  1.0
  O  O30  1  0.884  0.618  0.171  1.0
  O  O31  1  0.116  0.382  0.171  1.0
  O  O32  1  0.900  0.100  0.168  1.0
  O  O33  1  0.100  0.900  0.168  1.0
  O  O34  1  0.900  0.900  0.668  1.0
  O  O35  1  0.100  0.100  0.668  1.0
  O  O36  1  0.900  0.100  0.832  1.0
  O  O37  1  0.100  0.900  0.832  1.0
  O  O38  1  0.900  0.900  0.332  1.0
  O  O39  1  0.100  0.100  0.332  1.0
  O  O40  1  0.848  0.152  0.500  1.0
  O  O41  1  0.152  0.848  0.500  1.0
  O  O42  1  0.848  0.848  0.000  1.0
  O  O43  1  0.152  0.152  0.000  1.0
  O  O44  1  0.758  0.242  0.000  1.0
  O  O45  1  0.242  0.758  0.000  1.0
  O  O46  1  0.758  0.758  0.500  1.0
  O  O47  1  0.242  0.242  0.500  1.0
  O  O48  1  0.500  0.500  0.450  1.0
  O  O49  1  0.500  0.500  0.950  1.0
  O  O50  1  0.500  0.500  0.550  1.0
  O  O51  1  0.500  0.500  0.050  1.0
[/CIF]
.
The material structure described by (NaTi2SiO8)2O2 crystallizes in the tetragonal P4_2/mcm space group. The structure consists of two hydrogen peroxide molecules inside a NaTi2SiO8 framework. In the NaTi2SiO8 framework, Na(1) is bonded in a 6-coordinate geometry to two equivalent O(4) and four equivalent O(1) atoms. Ti(1) is bonded in a 6-coordinate geometry to one O(3), two equivalent O(1), and three equivalent O(2) atoms. Si(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(2) is bonded in a trigonal non-coplanar geometry to three equivalent Ti(1) atoms. In the second O site, O(3) is bonded in a linear geometry to two equivalent Ti(1) atoms. In the third O site, O(4) is bonded in a linear geometry to two equivalent Na(1) atoms. In the fourth O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Ti(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_NaTi2SiO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.905
_cell_length_b   7.905
_cell_length_c   12.379
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   773.561
_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  0.500  0.000  0.000  1.0
  Na  Na1  1  0.500  0.000  0.500  1.0
  Na  Na2  1  0.000  0.500  0.000  1.0
  Na  Na3  1  0.000  0.500  0.500  1.0
  Ti  Ti4  1  0.851  0.149  0.353  1.0
  Ti  Ti5  1  0.149  0.851  0.353  1.0
  Ti  Ti6  1  0.851  0.851  0.853  1.0
  Ti  Ti7  1  0.149  0.149  0.853  1.0
  Ti  Ti8  1  0.851  0.149  0.647  1.0
  Ti  Ti9  1  0.149  0.851  0.647  1.0
  Ti  Ti10  1  0.851  0.851  0.147  1.0
  Ti  Ti11  1  0.149  0.149  0.147  1.0
  Si  Si12  1  0.500  0.000  0.250  1.0
  Si  Si13  1  0.500  0.000  0.750  1.0
  Si  Si14  1  0.000  0.500  0.250  1.0
  Si  Si15  1  0.000  0.500  0.750  1.0
  O  O16  1  0.618  0.116  0.329  1.0
  O  O17  1  0.382  0.884  0.329  1.0
  O  O18  1  0.618  0.884  0.829  1.0
  O  O19  1  0.382  0.116  0.829  1.0
  O  O20  1  0.618  0.116  0.671  1.0
  O  O21  1  0.382  0.884  0.671  1.0
  O  O22  1  0.618  0.884  0.171  1.0
  O  O23  1  0.382  0.116  0.171  1.0
  O  O24  1  0.116  0.618  0.329  1.0
  O  O25  1  0.884  0.382  0.329  1.0
  O  O26  1  0.884  0.618  0.829  1.0
  O  O27  1  0.116  0.382  0.829  1.0
  O  O28  1  0.116  0.618  0.671  1.0
  O  O29  1  0.884  0.382  0.671  1.0
  O  O30  1  0.884  0.618  0.171  1.0
  O  O31  1  0.116  0.382  0.171  1.0
  O  O32  1  0.900  0.100  0.168  1.0
  O  O33  1  0.100  0.900  0.168  1.0
  O  O34  1  0.900  0.900  0.668  1.0
  O  O35  1  0.100  0.100  0.668  1.0
  O  O36  1  0.900  0.100  0.832  1.0
  O  O37  1  0.100  0.900  0.832  1.0
  O  O38  1  0.900  0.900  0.332  1.0
  O  O39  1  0.100  0.100  0.332  1.0
  O  O40  1  0.848  0.152  0.500  1.0
  O  O41  1  0.152  0.848  0.500  1.0
  O  O42  1  0.848  0.848  0.000  1.0
  O  O43  1  0.152  0.152  0.000  1.0
  O  O44  1  0.758  0.242  0.000  1.0
  O  O45  1  0.242  0.758  0.000  1.0
  O  O46  1  0.758  0.758  0.500  1.0
  O  O47  1  0.242  0.242  0.500  1.0
  O  O48  1  0.500  0.500  0.450  1.0
  O  O49  1  0.500  0.500  0.950  1.0
  O  O50  1  0.500  0.500  0.550  1.0
  O  O51  1  0.500  0.500  0.050  1.0
[/CIF]
.