The crystal structure described by MgTi4Bi2O11 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(5) and four equivalent O(3) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form distorted TiO5 trigonal bipyramids that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Bi(1)O5 square pyramids, corners with two equivalent Ti(1)O5 trigonal bipyramids, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(5), one O(6), and two equivalent O(4) atoms to form distorted TiO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Bi(1)O5 square pyramids,  a cornercorner with one Ti(1)O5 trigonal bipyramid, and edges with two equivalent Ti(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-35°. Bi(1) is bonded to two equivalent O(3) and three equivalent O(1) atoms to form distorted BiO5 square pyramids that share corners with three equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(1)O5 trigonal bipyramids, and edges with four equivalent Bi(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 41-78°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ti(2) and three equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing OTiBi3 tetrahedra. In the second O site, O(2) is bonded in a linear geometry to one Ti(1) and one Ti(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Ti(1), and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1) and two equivalent Ti(2) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(2), and two equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded in a linear geometry to two equivalent Ti(2) atoms. is represented by the CIF file [CIF]
data_MgTi4Bi2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.682
_cell_length_b   8.510
_cell_length_c   8.094
_cell_angle_alpha   85.249
_cell_angle_beta   76.853
_cell_angle_gamma   77.507
_symmetry_Int_Tables_number   1
_cell_volume   240.950
_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
  Mg  Mg0  1  0.000  0.500  0.500  1.0
  Ti  Ti1  1  0.643  0.213  0.500  1.0
  Ti  Ti2  1  0.357  0.787  0.500  1.0
  Ti  Ti3  1  0.659  0.867  0.816  1.0
  Ti  Ti4  1  0.341  0.133  0.184  1.0
  Bi  Bi5  1  0.113  0.652  0.122  1.0
  Bi  Bi6  1  0.887  0.348  0.878  1.0
  O  O7  1  0.710  0.633  0.947  1.0
  O  O8  1  0.290  0.367  0.053  1.0
  O  O9  1  0.645  0.055  0.655  1.0
  O  O10  1  0.355  0.945  0.345  1.0
  O  O11  1  0.482  0.398  0.638  1.0
  O  O12  1  0.518  0.602  0.362  1.0
  O  O13  1  0.793  0.169  0.245  1.0
  O  O14  1  0.207  0.831  0.755  1.0
  O  O15  1  0.148  0.270  0.434  1.0
  O  O16  1  0.852  0.730  0.566  1.0
  O  O17  1  0.500  0.000  0.000  1.0
[/CIF]
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The crystal structure described by MgTi4Bi2O11 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(5) and four equivalent O(3) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form distorted TiO5 trigonal bipyramids that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Bi(1)O5 square pyramids, corners with two equivalent Ti(1)O5 trigonal bipyramids, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(5), one O(6), and two equivalent O(4) atoms to form distorted TiO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Bi(1)O5 square pyramids,  a cornercorner with one Ti(1)O5 trigonal bipyramid, and edges with two equivalent Ti(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-35°. Bi(1) is bonded to two equivalent O(3) and three equivalent O(1) atoms to form distorted BiO5 square pyramids that share corners with three equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(1)O5 trigonal bipyramids, and edges with four equivalent Bi(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 41-78°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ti(2) and three equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing OTiBi3 tetrahedra. In the second O site, O(2) is bonded in a linear geometry to one Ti(1) and one Ti(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Ti(1), and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1) and two equivalent Ti(2) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(2), and two equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded in a linear geometry to two equivalent Ti(2) atoms. is represented by the CIF file [CIF]
data_MgTi4Bi2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.682
_cell_length_b   8.510
_cell_length_c   8.094
_cell_angle_alpha   85.249
_cell_angle_beta   76.853
_cell_angle_gamma   77.507
_symmetry_Int_Tables_number   1
_cell_volume   240.950
_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
  Mg  Mg0  1  0.000  0.500  0.500  1.0
  Ti  Ti1  1  0.643  0.213  0.500  1.0
  Ti  Ti2  1  0.357  0.787  0.500  1.0
  Ti  Ti3  1  0.659  0.867  0.816  1.0
  Ti  Ti4  1  0.341  0.133  0.184  1.0
  Bi  Bi5  1  0.113  0.652  0.122  1.0
  Bi  Bi6  1  0.887  0.348  0.878  1.0
  O  O7  1  0.710  0.633  0.947  1.0
  O  O8  1  0.290  0.367  0.053  1.0
  O  O9  1  0.645  0.055  0.655  1.0
  O  O10  1  0.355  0.945  0.345  1.0
  O  O11  1  0.482  0.398  0.638  1.0
  O  O12  1  0.518  0.602  0.362  1.0
  O  O13  1  0.793  0.169  0.245  1.0
  O  O14  1  0.207  0.831  0.755  1.0
  O  O15  1  0.148  0.270  0.434  1.0
  O  O16  1  0.852  0.730  0.566  1.0
  O  O17  1  0.500  0.000  0.000  1.0
[/CIF]
.