The crystal structure described by Rb6Ti2O7 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. In the second Rb site, Rb(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(4) atoms. In the third Rb site, Rb(3) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(3) atoms. Ti(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing TiO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Rb(1), two equivalent Rb(2), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Rb(2), two equivalent Rb(1), two equivalent Rb(3), and one Ti(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Rb(2), two equivalent Rb(1), two equivalent Rb(3), and one Ti(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(3), two equivalent Rb(2), and one Ti(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb6Ti2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.621
_cell_length_b   6.844
_cell_length_c   11.672
_cell_angle_alpha   56.225
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   638.839
_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  0.790  0.597  0.281  1.0
  Rb  Rb1  1  0.651  0.957  0.924  1.0
  Rb  Rb2  1  0.525  0.205  0.547  1.0
  Rb  Rb3  1  0.025  0.795  0.953  1.0
  Rb  Rb4  1  0.290  0.403  0.219  1.0
  Rb  Rb5  1  0.151  0.043  0.576  1.0
  Rb  Rb6  1  0.849  0.957  0.424  1.0
  Rb  Rb7  1  0.710  0.597  0.781  1.0
  Rb  Rb8  1  0.975  0.205  0.047  1.0
  Rb  Rb9  1  0.475  0.795  0.453  1.0
  Rb  Rb10  1  0.349  0.043  0.076  1.0
  Rb  Rb11  1  0.210  0.403  0.719  1.0
  Ti  Ti12  1  0.860  0.317  0.630  1.0
  Ti  Ti13  1  0.360  0.683  0.870  1.0
  Ti  Ti14  1  0.640  0.317  0.130  1.0
  Ti  Ti15  1  0.140  0.683  0.370  1.0
  O  O16  1  0.000  0.500  0.500  1.0
  O  O17  1  0.092  0.752  0.202  1.0
  O  O18  1  0.294  0.500  0.428  1.0
  O  O19  1  0.331  0.948  0.866  1.0
  O  O20  1  0.831  0.052  0.634  1.0
  O  O21  1  0.794  0.500  0.072  1.0
  O  O22  1  0.592  0.248  0.298  1.0
  O  O23  1  0.500  0.500  0.000  1.0
  O  O24  1  0.408  0.752  0.702  1.0
  O  O25  1  0.206  0.500  0.928  1.0
  O  O26  1  0.169  0.948  0.366  1.0
  O  O27  1  0.669  0.052  0.134  1.0
  O  O28  1  0.706  0.500  0.572  1.0
  O  O29  1  0.908  0.248  0.798  1.0
[/CIF]
.
The crystal structure described by Rb6Ti2O7 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. In the second Rb site, Rb(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(4) atoms. In the third Rb site, Rb(3) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(3) atoms. Ti(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing TiO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Rb(1), two equivalent Rb(2), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Rb(2), two equivalent Rb(1), two equivalent Rb(3), and one Ti(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Rb(2), two equivalent Rb(1), two equivalent Rb(3), and one Ti(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(3), two equivalent Rb(2), and one Ti(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb6Ti2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.621
_cell_length_b   6.844
_cell_length_c   11.672
_cell_angle_alpha   56.225
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   638.839
_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  0.790  0.597  0.281  1.0
  Rb  Rb1  1  0.651  0.957  0.924  1.0
  Rb  Rb2  1  0.525  0.205  0.547  1.0
  Rb  Rb3  1  0.025  0.795  0.953  1.0
  Rb  Rb4  1  0.290  0.403  0.219  1.0
  Rb  Rb5  1  0.151  0.043  0.576  1.0
  Rb  Rb6  1  0.849  0.957  0.424  1.0
  Rb  Rb7  1  0.710  0.597  0.781  1.0
  Rb  Rb8  1  0.975  0.205  0.047  1.0
  Rb  Rb9  1  0.475  0.795  0.453  1.0
  Rb  Rb10  1  0.349  0.043  0.076  1.0
  Rb  Rb11  1  0.210  0.403  0.719  1.0
  Ti  Ti12  1  0.860  0.317  0.630  1.0
  Ti  Ti13  1  0.360  0.683  0.870  1.0
  Ti  Ti14  1  0.640  0.317  0.130  1.0
  Ti  Ti15  1  0.140  0.683  0.370  1.0
  O  O16  1  0.000  0.500  0.500  1.0
  O  O17  1  0.092  0.752  0.202  1.0
  O  O18  1  0.294  0.500  0.428  1.0
  O  O19  1  0.331  0.948  0.866  1.0
  O  O20  1  0.831  0.052  0.634  1.0
  O  O21  1  0.794  0.500  0.072  1.0
  O  O22  1  0.592  0.248  0.298  1.0
  O  O23  1  0.500  0.500  0.000  1.0
  O  O24  1  0.408  0.752  0.702  1.0
  O  O25  1  0.206  0.500  0.928  1.0
  O  O26  1  0.169  0.948  0.366  1.0
  O  O27  1  0.669  0.052  0.134  1.0
  O  O28  1  0.706  0.500  0.572  1.0
  O  O29  1  0.908  0.248  0.798  1.0
[/CIF]
.