The material described by Ti2Cr3Sb3O16 is Hydrophilite-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(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(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 CrO6 octahedra that share  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. In the second Cr site, Cr(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CrO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra and edges with four equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form SbO6 octahedra that share  an edgeedge with one Ti(1)O6 octahedra and edges with four equivalent Cr(1)O6 octahedra. In the second Sb site, Sb(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 SbO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(1), one Cr(2), and one Sb(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1) and two equivalent Cr(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cr(1) and one Sb(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cr(1) and one Sb(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Cr(2) and two equivalent Sb(2) atoms. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Ti(1), one Cr(1), and one Sb(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ti(2) and two equivalent Cr(1) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Sb(2) atoms. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to one Ti(2), one Cr(2), and one Sb(2) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Cr(2) and two equivalent Sb(2) atoms. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Ti(2), one Cr(1), and one Sb(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ti(2) and two equivalent Sb(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti2Cr3Sb3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.096
_cell_length_b   6.096
_cell_length_c   9.106
_cell_angle_alpha   89.627
_cell_angle_beta   89.627
_cell_angle_gamma   60.166
_symmetry_Int_Tables_number   1
_cell_volume   293.530
_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  0.650  0.650  0.524  1.0
  Ti  Ti1  1  0.322  0.322  0.994  1.0
  Cr  Cr2  1  0.337  0.833  0.791  1.0
  Cr  Cr3  1  0.833  0.337  0.791  1.0
  Cr  Cr4  1  0.171  0.171  0.290  1.0
  Sb  Sb5  1  0.833  0.833  0.789  1.0
  Sb  Sb6  1  0.667  0.171  0.288  1.0
  Sb  Sb7  1  0.171  0.667  0.288  1.0
  O  O8  1  0.337  0.828  0.400  1.0
  O  O9  1  0.523  0.523  0.661  1.0
  O  O10  1  0.669  0.669  0.899  1.0
  O  O11  1  1.000  1.000  0.689  1.0
  O  O12  1  0.004  0.004  0.180  1.0
  O  O13  1  0.828  0.337  0.400  1.0
  O  O14  1  0.526  0.949  0.656  1.0
  O  O15  1  0.949  0.526  0.656  1.0
  O  O16  1  0.172  0.172  0.900  1.0
  O  O17  1  0.836  0.836  0.398  1.0
  O  O18  1  0.053  0.479  0.161  1.0
  O  O19  1  0.479  0.053  0.161  1.0
  O  O20  1  0.336  0.336  0.406  1.0
  O  O21  1  0.168  0.655  0.902  1.0
  O  O22  1  0.484  0.484  0.160  1.0
  O  O23  1  0.655  0.168  0.902  1.0
[/CIF]
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The material described by Ti2Cr3Sb3O16 is Hydrophilite-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(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(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 CrO6 octahedra that share  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. In the second Cr site, Cr(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CrO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra and edges with four equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form SbO6 octahedra that share  an edgeedge with one Ti(1)O6 octahedra and edges with four equivalent Cr(1)O6 octahedra. In the second Sb site, Sb(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 SbO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(1), one Cr(2), and one Sb(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1) and two equivalent Cr(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cr(1) and one Sb(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cr(1) and one Sb(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Cr(2) and two equivalent Sb(2) atoms. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Ti(1), one Cr(1), and one Sb(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ti(2) and two equivalent Cr(1) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Sb(2) atoms. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to one Ti(2), one Cr(2), and one Sb(2) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Cr(2) and two equivalent Sb(2) atoms. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Ti(2), one Cr(1), and one Sb(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ti(2) and two equivalent Sb(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti2Cr3Sb3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.096
_cell_length_b   6.096
_cell_length_c   9.106
_cell_angle_alpha   89.627
_cell_angle_beta   89.627
_cell_angle_gamma   60.166
_symmetry_Int_Tables_number   1
_cell_volume   293.530
_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  0.650  0.650  0.524  1.0
  Ti  Ti1  1  0.322  0.322  0.994  1.0
  Cr  Cr2  1  0.337  0.833  0.791  1.0
  Cr  Cr3  1  0.833  0.337  0.791  1.0
  Cr  Cr4  1  0.171  0.171  0.290  1.0
  Sb  Sb5  1  0.833  0.833  0.789  1.0
  Sb  Sb6  1  0.667  0.171  0.288  1.0
  Sb  Sb7  1  0.171  0.667  0.288  1.0
  O  O8  1  0.337  0.828  0.400  1.0
  O  O9  1  0.523  0.523  0.661  1.0
  O  O10  1  0.669  0.669  0.899  1.0
  O  O11  1  1.000  1.000  0.689  1.0
  O  O12  1  0.004  0.004  0.180  1.0
  O  O13  1  0.828  0.337  0.400  1.0
  O  O14  1  0.526  0.949  0.656  1.0
  O  O15  1  0.949  0.526  0.656  1.0
  O  O16  1  0.172  0.172  0.900  1.0
  O  O17  1  0.836  0.836  0.398  1.0
  O  O18  1  0.053  0.479  0.161  1.0
  O  O19  1  0.479  0.053  0.161  1.0
  O  O20  1  0.336  0.336  0.406  1.0
  O  O21  1  0.168  0.655  0.902  1.0
  O  O22  1  0.484  0.484  0.160  1.0
  O  O23  1  0.655  0.168  0.902  1.0
[/CIF]
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