The material structure described by Rb6Ti2O7 crystallizes in the trigonal P-3 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), and three equivalent O(1) atoms. In the second Rb site, Rb(2) is bonded in a 4-coordinate geometry to one O(1) and three equivalent O(2) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(3) and three equivalent O(2) atoms to form corner-sharing TiO4 tetrahedra. In the second Ti site, Ti(2) is bonded to one O(3) and three equivalent O(1) atoms to form corner-sharing TiO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Rb(2), three equivalent Rb(1), and one Ti(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Rb(1), three equivalent Rb(2), and one Ti(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to three equivalent Rb(1), one Ti(1), and one Ti(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb6Ti2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.930
_cell_length_b   9.930
_cell_length_c   9.962
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   850.702
_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
  Rb  Rb0  1  0.333  0.971  0.374  1.0
  Rb  Rb1  1  0.350  0.963  0.873  1.0
  Rb  Rb2  1  0.029  0.362  0.374  1.0
  Rb  Rb3  1  0.037  0.387  0.873  1.0
  Rb  Rb4  1  0.362  0.333  0.626  1.0
  Rb  Rb5  1  0.387  0.350  0.127  1.0
  Rb  Rb6  1  0.613  0.650  0.873  1.0
  Rb  Rb7  1  0.638  0.667  0.374  1.0
  Rb  Rb8  1  0.963  0.613  0.127  1.0
  Rb  Rb9  1  0.971  0.638  0.626  1.0
  Rb  Rb10  1  0.650  0.037  0.127  1.0
  Rb  Rb11  1  0.667  0.029  0.626  1.0
  Ti  Ti12  1  0.333  0.667  0.180  1.0
  Ti  Ti13  1  0.333  0.667  0.566  1.0
  Ti  Ti14  1  0.667  0.333  0.820  1.0
  Ti  Ti15  1  0.667  0.333  0.434  1.0
  O  O16  1  0.176  0.478  0.622  1.0
  O  O17  1  0.175  0.479  0.125  1.0
  O  O18  1  0.303  0.825  0.125  1.0
  O  O19  1  0.302  0.824  0.622  1.0
  O  O20  1  0.333  0.667  0.373  1.0
  O  O21  1  0.522  0.698  0.622  1.0
  O  O22  1  0.521  0.697  0.125  1.0
  O  O23  1  0.479  0.303  0.875  1.0
  O  O24  1  0.478  0.302  0.378  1.0
  O  O25  1  0.667  0.333  0.627  1.0
  O  O26  1  0.698  0.176  0.378  1.0
  O  O27  1  0.697  0.175  0.875  1.0
  O  O28  1  0.825  0.521  0.875  1.0
  O  O29  1  0.824  0.522  0.378  1.0
[/CIF]
.
The material structure described by Rb6Ti2O7 crystallizes in the trigonal P-3 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), and three equivalent O(1) atoms. In the second Rb site, Rb(2) is bonded in a 4-coordinate geometry to one O(1) and three equivalent O(2) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(3) and three equivalent O(2) atoms to form corner-sharing TiO4 tetrahedra. In the second Ti site, Ti(2) is bonded to one O(3) and three equivalent O(1) atoms to form corner-sharing TiO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Rb(2), three equivalent Rb(1), and one Ti(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Rb(1), three equivalent Rb(2), and one Ti(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to three equivalent Rb(1), one Ti(1), and one Ti(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb6Ti2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.930
_cell_length_b   9.930
_cell_length_c   9.962
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   850.702
_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
  Rb  Rb0  1  0.333  0.971  0.374  1.0
  Rb  Rb1  1  0.350  0.963  0.873  1.0
  Rb  Rb2  1  0.029  0.362  0.374  1.0
  Rb  Rb3  1  0.037  0.387  0.873  1.0
  Rb  Rb4  1  0.362  0.333  0.626  1.0
  Rb  Rb5  1  0.387  0.350  0.127  1.0
  Rb  Rb6  1  0.613  0.650  0.873  1.0
  Rb  Rb7  1  0.638  0.667  0.374  1.0
  Rb  Rb8  1  0.963  0.613  0.127  1.0
  Rb  Rb9  1  0.971  0.638  0.626  1.0
  Rb  Rb10  1  0.650  0.037  0.127  1.0
  Rb  Rb11  1  0.667  0.029  0.626  1.0
  Ti  Ti12  1  0.333  0.667  0.180  1.0
  Ti  Ti13  1  0.333  0.667  0.566  1.0
  Ti  Ti14  1  0.667  0.333  0.820  1.0
  Ti  Ti15  1  0.667  0.333  0.434  1.0
  O  O16  1  0.176  0.478  0.622  1.0
  O  O17  1  0.175  0.479  0.125  1.0
  O  O18  1  0.303  0.825  0.125  1.0
  O  O19  1  0.302  0.824  0.622  1.0
  O  O20  1  0.333  0.667  0.373  1.0
  O  O21  1  0.522  0.698  0.622  1.0
  O  O22  1  0.521  0.697  0.125  1.0
  O  O23  1  0.479  0.303  0.875  1.0
  O  O24  1  0.478  0.302  0.378  1.0
  O  O25  1  0.667  0.333  0.627  1.0
  O  O26  1  0.698  0.176  0.378  1.0
  O  O27  1  0.697  0.175  0.875  1.0
  O  O28  1  0.825  0.521  0.875  1.0
  O  O29  1  0.824  0.522  0.378  1.0
[/CIF]
.