The crystal structure described by MgTi3(BiO3)4 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a square co-planar geometry to four equivalent O(3) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedra are not tilted. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one O(5) and four equivalent O(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted pentagonal planar geometry to one O(5) and four equivalent O(4) atoms. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ti(1) and one Bi(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ti(2) and two equivalent Bi(2) atoms. In the third O site, O(3) is bonded in a square co-planar geometry to two equivalent Mg(1) and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded to four equivalent Bi(1) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ti(2) and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi3(BiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.956
_cell_length_b   3.954
_cell_length_c   18.254
_cell_angle_alpha   92.024
_cell_angle_beta   91.931
_cell_angle_gamma   89.616
_symmetry_Int_Tables_number   1
_cell_volume   285.160
_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  0.000  0.000  1.0
  Ti  Ti1  1  0.500  0.500  0.000  1.0
  Ti  Ti2  1  0.340  0.340  0.725  1.0
  Ti  Ti3  1  0.660  0.660  0.275  1.0
  Bi  Bi4  1  0.746  0.747  0.567  1.0
  Bi  Bi5  1  0.254  0.253  0.433  1.0
  Bi  Bi6  1  0.809  0.810  0.833  1.0
  Bi  Bi7  1  0.191  0.190  0.167  1.0
  O  O8  1  0.531  0.532  0.111  1.0
  O  O9  1  0.850  0.358  0.756  1.0
  O  O10  1  0.642  0.150  0.244  1.0
  O  O11  1  0.150  0.642  0.244  1.0
  O  O12  1  0.500  0.000  0.000  1.0
  O  O13  1  0.000  0.500  0.000  1.0
  O  O14  1  0.752  0.248  0.500  1.0
  O  O15  1  0.668  0.669  0.371  1.0
  O  O16  1  0.469  0.468  0.889  1.0
  O  O17  1  0.248  0.752  0.500  1.0
  O  O18  1  0.332  0.331  0.629  1.0
  O  O19  1  0.358  0.850  0.756  1.0
[/CIF]
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The crystal structure described by MgTi3(BiO3)4 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded in a square co-planar geometry to four equivalent O(3) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedra are not tilted. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one O(5) and four equivalent O(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted pentagonal planar geometry to one O(5) and four equivalent O(4) atoms. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ti(1) and one Bi(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ti(2) and two equivalent Bi(2) atoms. In the third O site, O(3) is bonded in a square co-planar geometry to two equivalent Mg(1) and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded to four equivalent Bi(1) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ti(2) and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi3(BiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.956
_cell_length_b   3.954
_cell_length_c   18.254
_cell_angle_alpha   92.024
_cell_angle_beta   91.931
_cell_angle_gamma   89.616
_symmetry_Int_Tables_number   1
_cell_volume   285.160
_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  0.000  0.000  1.0
  Ti  Ti1  1  0.500  0.500  0.000  1.0
  Ti  Ti2  1  0.340  0.340  0.725  1.0
  Ti  Ti3  1  0.660  0.660  0.275  1.0
  Bi  Bi4  1  0.746  0.747  0.567  1.0
  Bi  Bi5  1  0.254  0.253  0.433  1.0
  Bi  Bi6  1  0.809  0.810  0.833  1.0
  Bi  Bi7  1  0.191  0.190  0.167  1.0
  O  O8  1  0.531  0.532  0.111  1.0
  O  O9  1  0.850  0.358  0.756  1.0
  O  O10  1  0.642  0.150  0.244  1.0
  O  O11  1  0.150  0.642  0.244  1.0
  O  O12  1  0.500  0.000  0.000  1.0
  O  O13  1  0.000  0.500  0.000  1.0
  O  O14  1  0.752  0.248  0.500  1.0
  O  O15  1  0.668  0.669  0.371  1.0
  O  O16  1  0.469  0.468  0.889  1.0
  O  O17  1  0.248  0.752  0.500  1.0
  O  O18  1  0.332  0.331  0.629  1.0
  O  O19  1  0.358  0.850  0.756  1.0
[/CIF]
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