The structure described by RbTi3FeO8 crystallizes in the monoclinic Cm space group. Rb(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(4), one O(6), two equivalent O(1), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second Ti site, Ti(2) is bonded to one O(2), one O(7), two equivalent O(4), and two equivalent O(8) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the third Ti site, Ti(3) is bonded to one O(1), one O(8), two equivalent O(3), and two equivalent O(7) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. Fe(1) is bonded to one O(3), one O(5), two equivalent O(2), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(3) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ti(2) and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ti(3) and one Fe(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Ti(2) atoms. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Rb(1), two equivalent Ti(1), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Rb(1), one Ti(1), and two equivalent Fe(1) atoms. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Rb(1), one Ti(2), and two equivalent Ti(3) atoms. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to two equivalent Rb(1), one Ti(3), and two equivalent Ti(2) atoms. is represented by the CIF file [CIF]
data_RbTi3FeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.396
_cell_length_b   7.396
_cell_length_c   10.276
_cell_angle_alpha   46.454
_cell_angle_beta   46.454
_cell_angle_gamma   23.557
_symmetry_Int_Tables_number   1
_cell_volume   159.618
_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  0.001  0.001  1.000  1.0
  Ti  Ti1  1  0.844  0.844  0.825  1.0
  Ti  Ti2  1  0.664  0.664  0.481  1.0
  Ti  Ti3  1  0.334  0.334  0.516  1.0
  Fe  Fe4  1  0.149  0.149  0.186  1.0
  O  O5  1  0.335  0.335  0.706  1.0
  O  O6  1  0.667  0.667  0.297  1.0
  O  O7  1  0.955  0.955  0.379  1.0
  O  O8  1  0.041  0.041  0.625  1.0
  O  O9  1  0.351  0.351  0.942  1.0
  O  O10  1  0.660  0.660  0.041  1.0
  O  O11  1  0.706  0.706  0.639  1.0
  O  O12  1  0.294  0.294  0.363  1.0
[/CIF]
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The structure described by RbTi3FeO8 crystallizes in the monoclinic Cm space group. Rb(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(4), one O(6), two equivalent O(1), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second Ti site, Ti(2) is bonded to one O(2), one O(7), two equivalent O(4), and two equivalent O(8) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the third Ti site, Ti(3) is bonded to one O(1), one O(8), two equivalent O(3), and two equivalent O(7) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. Fe(1) is bonded to one O(3), one O(5), two equivalent O(2), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(3) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ti(2) and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ti(3) and one Fe(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Ti(2) atoms. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Rb(1), two equivalent Ti(1), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Rb(1), one Ti(1), and two equivalent Fe(1) atoms. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Rb(1), one Ti(2), and two equivalent Ti(3) atoms. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to two equivalent Rb(1), one Ti(3), and two equivalent Ti(2) atoms. is represented by the CIF file [CIF]
data_RbTi3FeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.396
_cell_length_b   7.396
_cell_length_c   10.276
_cell_angle_alpha   46.454
_cell_angle_beta   46.454
_cell_angle_gamma   23.557
_symmetry_Int_Tables_number   1
_cell_volume   159.618
_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  0.001  0.001  1.000  1.0
  Ti  Ti1  1  0.844  0.844  0.825  1.0
  Ti  Ti2  1  0.664  0.664  0.481  1.0
  Ti  Ti3  1  0.334  0.334  0.516  1.0
  Fe  Fe4  1  0.149  0.149  0.186  1.0
  O  O5  1  0.335  0.335  0.706  1.0
  O  O6  1  0.667  0.667  0.297  1.0
  O  O7  1  0.955  0.955  0.379  1.0
  O  O8  1  0.041  0.041  0.625  1.0
  O  O9  1  0.351  0.351  0.942  1.0
  O  O10  1  0.660  0.660  0.041  1.0
  O  O11  1  0.706  0.706  0.639  1.0
  O  O12  1  0.294  0.294  0.363  1.0
[/CIF]
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