The crystal structure described by Rb2TiFe2(MoO4)6 crystallizes in the triclinic P-1 space group. Rb(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. Ti(1) is bonded to two equivalent O(10), two equivalent O(3), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, and corners with two equivalent Mo(3)O4 tetrahedra. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(10), one O(4), and one O(7) atom to form MoO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, and  a cornercorner with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-42°. In the second Mo site, Mo(2) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form MoO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, and  a cornercorner with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-42°. In the third Mo site, Mo(3) is bonded to one O(12), one O(3), one O(6), and one O(9) atom to form MoO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, and  a cornercorner with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-41°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(11), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, and corners with two equivalent Mo(3)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to two equivalent O(12), two equivalent O(2), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, and corners with two equivalent Mo(3)O4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Rb(1), one Mo(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Rb(1), one Mo(2), and one Fe(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Rb(1), one Ti(1), and one Mo(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Rb(1), one Mo(1), and one Fe(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Rb(1), one Ti(1), and one Mo(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Rb(1), one Mo(3), and one Fe(1) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Rb(1) and one Mo(1) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Rb(1) and one Mo(2) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one Rb(1) and one Mo(3) atom. In the tenth O site, O(10) is bonded in a linear geometry to one Ti(1) and one Mo(1) atom. In the eleventh O site, O(11) is bonded in a linear geometry to one Mo(2) and one Fe(1) atom. In the twelfth O site, O(12) is bonded in a linear geometry to one Mo(3) and one Fe(2) atom. is represented by the CIF card [CIF]
data_Rb2TiFe2(MoO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.602
_cell_length_b   8.613
_cell_length_c   8.631
_cell_angle_alpha   99.268
_cell_angle_beta   99.202
_cell_angle_gamma   99.278
_symmetry_Int_Tables_number   1
_cell_volume   611.394
_cell_formula_units_Z   1
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  0.815  0.815  0.813  1.0
  Rb  Rb1  1  0.185  0.185  0.187  1.0
  Ti  Ti2  1  0.500  0.500  0.000  1.0
  Fe  Fe3  1  0.000  0.500  0.500  1.0
  Fe  Fe4  1  0.500  0.000  0.500  1.0
  Mo  Mo5  1  0.787  0.320  0.771  1.0
  Mo  Mo6  1  0.771  0.787  0.321  1.0
  Mo  Mo7  1  0.320  0.770  0.788  1.0
  Mo  Mo8  1  0.213  0.680  0.229  1.0
  Mo  Mo9  1  0.229  0.213  0.679  1.0
  Mo  Mo10  1  0.680  0.230  0.212  1.0
  O  O11  1  0.826  0.444  0.626  1.0
  O  O12  1  0.626  0.826  0.446  1.0
  O  O13  1  0.448  0.624  0.832  1.0
  O  O14  1  0.174  0.556  0.374  1.0
  O  O15  1  0.374  0.174  0.554  1.0
  O  O16  1  0.552  0.376  0.168  1.0
  O  O17  1  0.693  0.120  0.666  1.0
  O  O18  1  0.662  0.687  0.119  1.0
  O  O19  1  0.120  0.665  0.692  1.0
  O  O20  1  0.307  0.880  0.334  1.0
  O  O21  1  0.338  0.313  0.881  1.0
  O  O22  1  0.880  0.335  0.308  1.0
  O  O23  1  0.967  0.308  0.889  1.0
  O  O24  1  0.890  0.966  0.308  1.0
  O  O25  1  0.307  0.891  0.965  1.0
  O  O26  1  0.033  0.692  0.111  1.0
  O  O27  1  0.110  0.034  0.692  1.0
  O  O28  1  0.693  0.109  0.035  1.0
  O  O29  1  0.662  0.422  0.891  1.0
  O  O30  1  0.889  0.666  0.421  1.0
  O  O31  1  0.421  0.888  0.666  1.0
  O  O32  1  0.338  0.578  0.109  1.0
  O  O33  1  0.111  0.334  0.579  1.0
  O  O34  1  0.579  0.112  0.334  1.0
[/CIF]
.
The crystal structure described by Rb2TiFe2(MoO4)6 crystallizes in the triclinic P-1 space group. Rb(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. Ti(1) is bonded to two equivalent O(10), two equivalent O(3), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, and corners with two equivalent Mo(3)O4 tetrahedra. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(10), one O(4), and one O(7) atom to form MoO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, and  a cornercorner with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-42°. In the second Mo site, Mo(2) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form MoO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, and  a cornercorner with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-42°. In the third Mo site, Mo(3) is bonded to one O(12), one O(3), one O(6), and one O(9) atom to form MoO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, and  a cornercorner with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-41°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(11), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, and corners with two equivalent Mo(3)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to two equivalent O(12), two equivalent O(2), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, and corners with two equivalent Mo(3)O4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Rb(1), one Mo(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Rb(1), one Mo(2), and one Fe(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Rb(1), one Ti(1), and one Mo(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Rb(1), one Mo(1), and one Fe(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Rb(1), one Ti(1), and one Mo(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Rb(1), one Mo(3), and one Fe(1) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Rb(1) and one Mo(1) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Rb(1) and one Mo(2) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one Rb(1) and one Mo(3) atom. In the tenth O site, O(10) is bonded in a linear geometry to one Ti(1) and one Mo(1) atom. In the eleventh O site, O(11) is bonded in a linear geometry to one Mo(2) and one Fe(1) atom. In the twelfth O site, O(12) is bonded in a linear geometry to one Mo(3) and one Fe(2) atom. is represented by the CIF card [CIF]
data_Rb2TiFe2(MoO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.602
_cell_length_b   8.613
_cell_length_c   8.631
_cell_angle_alpha   99.268
_cell_angle_beta   99.202
_cell_angle_gamma   99.278
_symmetry_Int_Tables_number   1
_cell_volume   611.394
_cell_formula_units_Z   1
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  0.815  0.815  0.813  1.0
  Rb  Rb1  1  0.185  0.185  0.187  1.0
  Ti  Ti2  1  0.500  0.500  0.000  1.0
  Fe  Fe3  1  0.000  0.500  0.500  1.0
  Fe  Fe4  1  0.500  0.000  0.500  1.0
  Mo  Mo5  1  0.787  0.320  0.771  1.0
  Mo  Mo6  1  0.771  0.787  0.321  1.0
  Mo  Mo7  1  0.320  0.770  0.788  1.0
  Mo  Mo8  1  0.213  0.680  0.229  1.0
  Mo  Mo9  1  0.229  0.213  0.679  1.0
  Mo  Mo10  1  0.680  0.230  0.212  1.0
  O  O11  1  0.826  0.444  0.626  1.0
  O  O12  1  0.626  0.826  0.446  1.0
  O  O13  1  0.448  0.624  0.832  1.0
  O  O14  1  0.174  0.556  0.374  1.0
  O  O15  1  0.374  0.174  0.554  1.0
  O  O16  1  0.552  0.376  0.168  1.0
  O  O17  1  0.693  0.120  0.666  1.0
  O  O18  1  0.662  0.687  0.119  1.0
  O  O19  1  0.120  0.665  0.692  1.0
  O  O20  1  0.307  0.880  0.334  1.0
  O  O21  1  0.338  0.313  0.881  1.0
  O  O22  1  0.880  0.335  0.308  1.0
  O  O23  1  0.967  0.308  0.889  1.0
  O  O24  1  0.890  0.966  0.308  1.0
  O  O25  1  0.307  0.891  0.965  1.0
  O  O26  1  0.033  0.692  0.111  1.0
  O  O27  1  0.110  0.034  0.692  1.0
  O  O28  1  0.693  0.109  0.035  1.0
  O  O29  1  0.662  0.422  0.891  1.0
  O  O30  1  0.889  0.666  0.421  1.0
  O  O31  1  0.421  0.888  0.666  1.0
  O  O32  1  0.338  0.578  0.109  1.0
  O  O33  1  0.111  0.334  0.579  1.0
  O  O34  1  0.579  0.112  0.334  1.0
[/CIF]
.