The material structure described by RbTi2(PO4)3 crystallizes in the trigonal R-3c space group. Rb(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form distorted RbO12 cuboctahedra that share corners with six equivalent Ti(1)O6 octahedra, edges with six equivalent P(1)O4 tetrahedra, and faces with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. Ti(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TiO6 octahedra that share corners with three equivalent Rb(1)O12 cuboctahedra, corners with six equivalent P(1)O4 tetrahedra, and  a faceface with one Rb(1)O12 cuboctahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Ti(1)O6 octahedra and edges with two equivalent Rb(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 21-35°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Rb(1), one Ti(1), and one P(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Rb(1), one Ti(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbTi2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.311
_cell_length_b   9.311
_cell_length_c   9.311
_cell_angle_alpha   53.896
_cell_angle_beta   53.896
_cell_angle_gamma   53.896
_symmetry_Int_Tables_number   1
_cell_volume   489.361
_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  0.000  0.000  0.000  1.0
  Rb  Rb1  1  0.500  0.500  0.500  1.0
  Ti  Ti2  1  0.151  0.151  0.151  1.0
  Ti  Ti3  1  0.349  0.349  0.349  1.0
  Ti  Ti4  1  0.849  0.849  0.849  1.0
  Ti  Ti5  1  0.651  0.651  0.651  1.0
  P  P6  1  0.250  0.970  0.530  1.0
  P  P7  1  0.530  0.250  0.970  1.0
  P  P8  1  0.970  0.530  0.250  1.0
  P  P9  1  0.750  0.030  0.470  1.0
  P  P10  1  0.470  0.750  0.030  1.0
  P  P11  1  0.030  0.470  0.750  1.0
  O  O12  1  0.988  0.348  0.261  1.0
  O  O13  1  0.261  0.988  0.348  1.0
  O  O14  1  0.348  0.261  0.988  1.0
  O  O15  1  0.512  0.239  0.152  1.0
  O  O16  1  0.152  0.512  0.239  1.0
  O  O17  1  0.239  0.152  0.512  1.0
  O  O18  1  0.012  0.652  0.739  1.0
  O  O19  1  0.739  0.012  0.652  1.0
  O  O20  1  0.652  0.739  0.012  1.0
  O  O21  1  0.488  0.761  0.848  1.0
  O  O22  1  0.848  0.488  0.761  1.0
  O  O23  1  0.761  0.848  0.488  1.0
  O  O24  1  0.932  0.070  0.302  1.0
  O  O25  1  0.070  0.302  0.932  1.0
  O  O26  1  0.302  0.932  0.070  1.0
  O  O27  1  0.430  0.568  0.198  1.0
  O  O28  1  0.568  0.198  0.430  1.0
  O  O29  1  0.198  0.430  0.568  1.0
  O  O30  1  0.068  0.930  0.698  1.0
  O  O31  1  0.930  0.698  0.068  1.0
  O  O32  1  0.698  0.068  0.930  1.0
  O  O33  1  0.570  0.432  0.802  1.0
  O  O34  1  0.432  0.802  0.570  1.0
  O  O35  1  0.802  0.570  0.432  1.0
[/CIF]
.
The material structure described by RbTi2(PO4)3 crystallizes in the trigonal R-3c space group. Rb(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form distorted RbO12 cuboctahedra that share corners with six equivalent Ti(1)O6 octahedra, edges with six equivalent P(1)O4 tetrahedra, and faces with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. Ti(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TiO6 octahedra that share corners with three equivalent Rb(1)O12 cuboctahedra, corners with six equivalent P(1)O4 tetrahedra, and  a faceface with one Rb(1)O12 cuboctahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Ti(1)O6 octahedra and edges with two equivalent Rb(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 21-35°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Rb(1), one Ti(1), and one P(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Rb(1), one Ti(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbTi2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.311
_cell_length_b   9.311
_cell_length_c   9.311
_cell_angle_alpha   53.896
_cell_angle_beta   53.896
_cell_angle_gamma   53.896
_symmetry_Int_Tables_number   1
_cell_volume   489.361
_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  0.000  0.000  0.000  1.0
  Rb  Rb1  1  0.500  0.500  0.500  1.0
  Ti  Ti2  1  0.151  0.151  0.151  1.0
  Ti  Ti3  1  0.349  0.349  0.349  1.0
  Ti  Ti4  1  0.849  0.849  0.849  1.0
  Ti  Ti5  1  0.651  0.651  0.651  1.0
  P  P6  1  0.250  0.970  0.530  1.0
  P  P7  1  0.530  0.250  0.970  1.0
  P  P8  1  0.970  0.530  0.250  1.0
  P  P9  1  0.750  0.030  0.470  1.0
  P  P10  1  0.470  0.750  0.030  1.0
  P  P11  1  0.030  0.470  0.750  1.0
  O  O12  1  0.988  0.348  0.261  1.0
  O  O13  1  0.261  0.988  0.348  1.0
  O  O14  1  0.348  0.261  0.988  1.0
  O  O15  1  0.512  0.239  0.152  1.0
  O  O16  1  0.152  0.512  0.239  1.0
  O  O17  1  0.239  0.152  0.512  1.0
  O  O18  1  0.012  0.652  0.739  1.0
  O  O19  1  0.739  0.012  0.652  1.0
  O  O20  1  0.652  0.739  0.012  1.0
  O  O21  1  0.488  0.761  0.848  1.0
  O  O22  1  0.848  0.488  0.761  1.0
  O  O23  1  0.761  0.848  0.488  1.0
  O  O24  1  0.932  0.070  0.302  1.0
  O  O25  1  0.070  0.302  0.932  1.0
  O  O26  1  0.302  0.932  0.070  1.0
  O  O27  1  0.430  0.568  0.198  1.0
  O  O28  1  0.568  0.198  0.430  1.0
  O  O29  1  0.198  0.430  0.568  1.0
  O  O30  1  0.068  0.930  0.698  1.0
  O  O31  1  0.930  0.698  0.068  1.0
  O  O32  1  0.698  0.068  0.930  1.0
  O  O33  1  0.570  0.432  0.802  1.0
  O  O34  1  0.432  0.802  0.570  1.0
  O  O35  1  0.802  0.570  0.432  1.0
[/CIF]
.