The material described by Ti3Fe3(SbO8)2 is Rutile-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form TiO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra,  an edgeedge with one Sb(1)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 are 49°. In the second Ti site, Ti(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form TiO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form SbO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the second Sb site, Sb(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form SbO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(2), one Fe(2), and one Sb(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ti(1) and one Sb(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to two equivalent Ti(1) and one Fe(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to two equivalent Ti(1) and one Fe(1) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Ti(2) and two equivalent Fe(2) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Fe(1), and one Sb(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Ti(1) and one Sb(2) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to two equivalent Fe(2) and one Sb(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2), one Fe(2), and one Sb(2) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Ti(2) and two equivalent Fe(2) atoms. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Ti(1), one Fe(1), and one Sb(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Fe(2) and one Sb(2) atom. is represented by the CIF file [CIF]
data_Ti3Fe3(SbO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.023
_cell_length_b   6.023
_cell_length_c   9.365
_cell_angle_alpha   89.603
_cell_angle_beta   89.603
_cell_angle_gamma   59.684
_symmetry_Int_Tables_number   1
_cell_volume   293.301
_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
  Ti  Ti0  1  0.336  0.832  0.790  1.0
  Ti  Ti1  1  0.832  0.336  0.790  1.0
  Ti  Ti2  1  0.164  0.164  0.286  1.0
  Fe  Fe3  1  0.831  0.831  0.791  1.0
  Fe  Fe4  1  0.169  0.662  0.292  1.0
  Fe  Fe5  1  0.662  0.169  0.292  1.0
  Sb  Sb6  1  0.669  0.669  0.510  1.0
  Sb  Sb7  1  0.335  0.335  0.013  1.0
  O  O8  1  0.346  0.835  0.396  1.0
  O  O9  1  0.524  0.524  0.660  1.0
  O  O10  1  0.659  0.659  0.897  1.0
  O  O11  1  0.004  0.004  0.698  1.0
  O  O12  1  0.000  0.000  0.197  1.0
  O  O13  1  0.835  0.346  0.396  1.0
  O  O14  1  0.516  0.954  0.660  1.0
  O  O15  1  0.954  0.516  0.660  1.0
  O  O16  1  0.174  0.174  0.893  1.0
  O  O17  1  0.832  0.832  0.400  1.0
  O  O18  1  0.043  0.471  0.158  1.0
  O  O19  1  0.471  0.043  0.158  1.0
  O  O20  1  0.331  0.331  0.396  1.0
  O  O21  1  0.176  0.658  0.896  1.0
  O  O22  1  0.478  0.478  0.159  1.0
  O  O23  1  0.658  0.176  0.896  1.0
[/CIF]
.
The material described by Ti3Fe3(SbO8)2 is Rutile-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form TiO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra,  an edgeedge with one Sb(1)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 are 49°. In the second Ti site, Ti(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form TiO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form SbO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the second Sb site, Sb(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form SbO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(2), one Fe(2), and one Sb(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ti(1) and one Sb(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to two equivalent Ti(1) and one Fe(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to two equivalent Ti(1) and one Fe(1) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Ti(2) and two equivalent Fe(2) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Fe(1), and one Sb(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Ti(1) and one Sb(2) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to two equivalent Fe(2) and one Sb(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2), one Fe(2), and one Sb(2) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Ti(2) and two equivalent Fe(2) atoms. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Ti(1), one Fe(1), and one Sb(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Fe(2) and one Sb(2) atom. is represented by the CIF file [CIF]
data_Ti3Fe3(SbO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.023
_cell_length_b   6.023
_cell_length_c   9.365
_cell_angle_alpha   89.603
_cell_angle_beta   89.603
_cell_angle_gamma   59.684
_symmetry_Int_Tables_number   1
_cell_volume   293.301
_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
  Ti  Ti0  1  0.336  0.832  0.790  1.0
  Ti  Ti1  1  0.832  0.336  0.790  1.0
  Ti  Ti2  1  0.164  0.164  0.286  1.0
  Fe  Fe3  1  0.831  0.831  0.791  1.0
  Fe  Fe4  1  0.169  0.662  0.292  1.0
  Fe  Fe5  1  0.662  0.169  0.292  1.0
  Sb  Sb6  1  0.669  0.669  0.510  1.0
  Sb  Sb7  1  0.335  0.335  0.013  1.0
  O  O8  1  0.346  0.835  0.396  1.0
  O  O9  1  0.524  0.524  0.660  1.0
  O  O10  1  0.659  0.659  0.897  1.0
  O  O11  1  0.004  0.004  0.698  1.0
  O  O12  1  0.000  0.000  0.197  1.0
  O  O13  1  0.835  0.346  0.396  1.0
  O  O14  1  0.516  0.954  0.660  1.0
  O  O15  1  0.954  0.516  0.660  1.0
  O  O16  1  0.174  0.174  0.893  1.0
  O  O17  1  0.832  0.832  0.400  1.0
  O  O18  1  0.043  0.471  0.158  1.0
  O  O19  1  0.471  0.043  0.158  1.0
  O  O20  1  0.331  0.331  0.396  1.0
  O  O21  1  0.176  0.658  0.896  1.0
  O  O22  1  0.478  0.478  0.159  1.0
  O  O23  1  0.658  0.176  0.896  1.0
[/CIF]
.