The material structure described by MgTiBiO5 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted MgO6 octahedra that share corners with two equivalent Bi(1)O6 pentagonal pyramids,  an edgeedge with one Mg(1)O6 octahedra, and edges with three equivalent Bi(1)O6 pentagonal pyramids. Ti(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), and two equivalent O(1) atoms. Bi(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted BiO6 pentagonal pyramids that share corners with two equivalent Mg(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  an edgeedge with one Bi(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 36-42°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Ti(1), and one Bi(1) atom to form distorted OMgTi2Bi trigonal pyramids that share corners with two equivalent O(4)Mg2Bi2 trigonal pyramids,  an edgeedge with one O(4)Mg2Bi2 trigonal pyramid, and  an edgeedge with one O(1)MgTi2Bi trigonal pyramid. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Ti(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ti(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded to two equivalent Mg(1) and two equivalent Bi(1) atoms to form distorted OMg2Bi2 trigonal pyramids that share corners with two equivalent O(1)MgTi2Bi trigonal pyramids,  an edgeedge with one O(1)MgTi2Bi trigonal pyramid, and edges with two equivalent O(4)Mg2Bi2 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1), one Ti(1), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTiBiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.852
_cell_length_b   5.372
_cell_length_c   8.438
_cell_angle_alpha   69.479
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   460.712
_cell_formula_units_Z   4
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  0.090  0.539  0.832  1.0
  Mg  Mg1  1  0.910  0.461  0.168  1.0
  Mg  Mg2  1  0.590  0.461  0.668  1.0
  Mg  Mg3  1  0.410  0.539  0.332  1.0
  Ti  Ti4  1  0.379  0.147  0.048  1.0
  Ti  Ti5  1  0.621  0.853  0.952  1.0
  Ti  Ti6  1  0.879  0.853  0.452  1.0
  Ti  Ti7  1  0.121  0.147  0.548  1.0
  Bi  Bi8  1  0.896  0.041  0.841  1.0
  Bi  Bi9  1  0.104  0.959  0.159  1.0
  Bi  Bi10  1  0.604  0.041  0.341  1.0
  Bi  Bi11  1  0.396  0.959  0.659  1.0
  O  O12  1  0.958  0.844  0.655  1.0
  O  O13  1  0.046  0.312  0.681  1.0
  O  O14  1  0.802  0.176  0.326  1.0
  O  O15  1  0.465  0.750  0.494  1.0
  O  O16  1  0.728  0.695  0.516  1.0
  O  O17  1  0.772  0.695  0.016  1.0
  O  O18  1  0.454  0.312  0.181  1.0
  O  O19  1  0.546  0.688  0.819  1.0
  O  O20  1  0.535  0.250  0.506  1.0
  O  O21  1  0.458  0.156  0.845  1.0
  O  O22  1  0.272  0.305  0.484  1.0
  O  O23  1  0.042  0.156  0.345  1.0
  O  O24  1  0.542  0.844  0.155  1.0
  O  O25  1  0.228  0.305  0.984  1.0
  O  O26  1  0.965  0.250  0.006  1.0
  O  O27  1  0.035  0.750  0.994  1.0
  O  O28  1  0.198  0.824  0.674  1.0
  O  O29  1  0.954  0.688  0.319  1.0
  O  O30  1  0.302  0.824  0.174  1.0
  O  O31  1  0.698  0.176  0.826  1.0
[/CIF]
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The material structure described by MgTiBiO5 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted MgO6 octahedra that share corners with two equivalent Bi(1)O6 pentagonal pyramids,  an edgeedge with one Mg(1)O6 octahedra, and edges with three equivalent Bi(1)O6 pentagonal pyramids. Ti(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), and two equivalent O(1) atoms. Bi(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted BiO6 pentagonal pyramids that share corners with two equivalent Mg(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  an edgeedge with one Bi(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 36-42°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Ti(1), and one Bi(1) atom to form distorted OMgTi2Bi trigonal pyramids that share corners with two equivalent O(4)Mg2Bi2 trigonal pyramids,  an edgeedge with one O(4)Mg2Bi2 trigonal pyramid, and  an edgeedge with one O(1)MgTi2Bi trigonal pyramid. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Ti(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ti(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded to two equivalent Mg(1) and two equivalent Bi(1) atoms to form distorted OMg2Bi2 trigonal pyramids that share corners with two equivalent O(1)MgTi2Bi trigonal pyramids,  an edgeedge with one O(1)MgTi2Bi trigonal pyramid, and edges with two equivalent O(4)Mg2Bi2 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1), one Ti(1), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTiBiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.852
_cell_length_b   5.372
_cell_length_c   8.438
_cell_angle_alpha   69.479
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   460.712
_cell_formula_units_Z   4
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  0.090  0.539  0.832  1.0
  Mg  Mg1  1  0.910  0.461  0.168  1.0
  Mg  Mg2  1  0.590  0.461  0.668  1.0
  Mg  Mg3  1  0.410  0.539  0.332  1.0
  Ti  Ti4  1  0.379  0.147  0.048  1.0
  Ti  Ti5  1  0.621  0.853  0.952  1.0
  Ti  Ti6  1  0.879  0.853  0.452  1.0
  Ti  Ti7  1  0.121  0.147  0.548  1.0
  Bi  Bi8  1  0.896  0.041  0.841  1.0
  Bi  Bi9  1  0.104  0.959  0.159  1.0
  Bi  Bi10  1  0.604  0.041  0.341  1.0
  Bi  Bi11  1  0.396  0.959  0.659  1.0
  O  O12  1  0.958  0.844  0.655  1.0
  O  O13  1  0.046  0.312  0.681  1.0
  O  O14  1  0.802  0.176  0.326  1.0
  O  O15  1  0.465  0.750  0.494  1.0
  O  O16  1  0.728  0.695  0.516  1.0
  O  O17  1  0.772  0.695  0.016  1.0
  O  O18  1  0.454  0.312  0.181  1.0
  O  O19  1  0.546  0.688  0.819  1.0
  O  O20  1  0.535  0.250  0.506  1.0
  O  O21  1  0.458  0.156  0.845  1.0
  O  O22  1  0.272  0.305  0.484  1.0
  O  O23  1  0.042  0.156  0.345  1.0
  O  O24  1  0.542  0.844  0.155  1.0
  O  O25  1  0.228  0.305  0.984  1.0
  O  O26  1  0.965  0.250  0.006  1.0
  O  O27  1  0.035  0.750  0.994  1.0
  O  O28  1  0.198  0.824  0.674  1.0
  O  O29  1  0.954  0.688  0.319  1.0
  O  O30  1  0.302  0.824  0.174  1.0
  O  O31  1  0.698  0.176  0.826  1.0
[/CIF]
.