The compound described by Ti2MnZnO6 is Ilmenite-derived structured and crystallizes in the trigonal R3 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted TiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with six equivalent Zn(1)O6 pentagonal pyramids, edges with three equivalent Ti(2)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 62°. In the second Ti site, Ti(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted TiO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, corners with three equivalent Zn(1)O6 pentagonal pyramids, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Zn(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 45-54°. Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted MnO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with six equivalent Ti(2)O6 octahedra, edges with three equivalent Zn(1)O6 pentagonal pyramids, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-62°. Zn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted ZnO6 pentagonal pyramids that share corners with three equivalent Ti(2)O6 octahedra, corners with six equivalent Ti(1)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-60°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Ti(1), one Ti(2), one Mn(1), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OTi2MnZn trigonal pyramids. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(2), one Mn(1), and one Zn(1) atom. is represented by the CIF card [CIF]
data_Ti2MnZnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.157
_cell_length_b   5.157
_cell_length_c   5.609
_cell_angle_alpha   90.011
_cell_angle_beta   117.357
_cell_angle_gamma   119.993
_symmetry_Int_Tables_number   1
_cell_volume   109.525
_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
  Mn  Mn0  1  0.282  0.641  0.922  1.0
  O  O1  1  0.211  0.435  0.264  1.0
  O  O2  1  0.488  0.053  0.264  1.0
  O  O3  1  0.829  0.776  0.265  1.0
  O  O4  1  0.775  0.562  0.733  1.0
  O  O5  1  0.521  0.958  0.733  1.0
  O  O6  1  0.170  0.212  0.733  1.0
  Ti  Ti7  1  0.707  0.854  0.561  1.0
  Ti  Ti8  1  0.293  0.146  0.439  1.0
  Zn  Zn9  1  0.724  0.362  0.085  1.0
[/CIF]
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The compound described by Ti2MnZnO6 is Ilmenite-derived structured and crystallizes in the trigonal R3 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted TiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with six equivalent Zn(1)O6 pentagonal pyramids, edges with three equivalent Ti(2)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 62°. In the second Ti site, Ti(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted TiO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, corners with three equivalent Zn(1)O6 pentagonal pyramids, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Zn(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 45-54°. Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted MnO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with six equivalent Ti(2)O6 octahedra, edges with three equivalent Zn(1)O6 pentagonal pyramids, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-62°. Zn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted ZnO6 pentagonal pyramids that share corners with three equivalent Ti(2)O6 octahedra, corners with six equivalent Ti(1)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-60°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Ti(1), one Ti(2), one Mn(1), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OTi2MnZn trigonal pyramids. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(2), one Mn(1), and one Zn(1) atom. is represented by the CIF card [CIF]
data_Ti2MnZnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.157
_cell_length_b   5.157
_cell_length_c   5.609
_cell_angle_alpha   90.011
_cell_angle_beta   117.357
_cell_angle_gamma   119.993
_symmetry_Int_Tables_number   1
_cell_volume   109.525
_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
  Mn  Mn0  1  0.282  0.641  0.922  1.0
  O  O1  1  0.211  0.435  0.264  1.0
  O  O2  1  0.488  0.053  0.264  1.0
  O  O3  1  0.829  0.776  0.265  1.0
  O  O4  1  0.775  0.562  0.733  1.0
  O  O5  1  0.521  0.958  0.733  1.0
  O  O6  1  0.170  0.212  0.733  1.0
  Ti  Ti7  1  0.707  0.854  0.561  1.0
  Ti  Ti8  1  0.293  0.146  0.439  1.0
  Zn  Zn9  1  0.724  0.362  0.085  1.0
[/CIF]
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