The compound described by MgTiZn(BiO3)2 crystallizes in the tetragonal P4mm space group. Mg(1) is bonded in a 4-coordinate geometry to one Bi(1) and four equivalent O(2) atoms. Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), and four equivalent O(3) atoms. Zn(1) is bonded to one O(4) and four equivalent O(2) atoms to form distorted corner-sharing ZnO5 trigonal bipyramids. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one Mg(1) and four equivalent O(1) atoms to form distorted BiMgO4 square pyramids that share corners with four equivalent Bi(1)MgO4 square pyramids, corners with four equivalent O(2)Mg2Zn2 trigonal pyramids, and edges with four equivalent Bi(1)MgO4 square pyramids. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to four equivalent O(3) and four equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ti(1) and four equivalent Bi(1) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1) and two equivalent Zn(1) atoms to form distorted OMg2Zn2 trigonal pyramids that share corners with two equivalent O(4)TiZnBi4 octahedra, corners with two equivalent Bi(1)MgO4 square pyramids, corners with four equivalent O(2)Mg2Zn2 trigonal pyramids, and edges with four equivalent O(2)Mg2Zn2 trigonal pyramids. The corner-sharing octahedral tilt angles are 73°. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Ti(1) and two equivalent Bi(2) atoms. In the fourth O site, O(4) is bonded to one Ti(1), one Zn(1), and four equivalent Bi(2) atoms to form distorted OTiZnBi4 octahedra that share corners with four equivalent O(4)TiZnBi4 octahedra, corners with four equivalent O(2)Mg2Zn2 trigonal pyramids, and edges with four equivalent O(4)TiZnBi4 octahedra. The corner-sharing octahedral tilt angles are 14°. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTiZn(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.786
_cell_length_b   3.786
_cell_length_c   11.316
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   162.195
_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  0.314  1.0
  Ti  Ti1  1  0.500  0.500  0.809  1.0
  Zn  Zn2  1  0.500  0.500  0.207  1.0
  Bi  Bi3  1  0.000  0.000  0.598  1.0
  Bi  Bi4  1  0.000  0.000  0.994  1.0
  O  O5  1  0.500  0.500  0.643  1.0
  O  O6  1  0.000  0.500  0.259  1.0
  O  O7  1  0.500  0.000  0.855  1.0
  O  O8  1  0.500  0.000  0.259  1.0
  O  O9  1  0.500  0.500  0.024  1.0
  O  O10  1  0.000  0.500  0.855  1.0
[/CIF]
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The compound described by MgTiZn(BiO3)2 crystallizes in the tetragonal P4mm space group. Mg(1) is bonded in a 4-coordinate geometry to one Bi(1) and four equivalent O(2) atoms. Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), and four equivalent O(3) atoms. Zn(1) is bonded to one O(4) and four equivalent O(2) atoms to form distorted corner-sharing ZnO5 trigonal bipyramids. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one Mg(1) and four equivalent O(1) atoms to form distorted BiMgO4 square pyramids that share corners with four equivalent Bi(1)MgO4 square pyramids, corners with four equivalent O(2)Mg2Zn2 trigonal pyramids, and edges with four equivalent Bi(1)MgO4 square pyramids. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to four equivalent O(3) and four equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ti(1) and four equivalent Bi(1) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1) and two equivalent Zn(1) atoms to form distorted OMg2Zn2 trigonal pyramids that share corners with two equivalent O(4)TiZnBi4 octahedra, corners with two equivalent Bi(1)MgO4 square pyramids, corners with four equivalent O(2)Mg2Zn2 trigonal pyramids, and edges with four equivalent O(2)Mg2Zn2 trigonal pyramids. The corner-sharing octahedral tilt angles are 73°. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Ti(1) and two equivalent Bi(2) atoms. In the fourth O site, O(4) is bonded to one Ti(1), one Zn(1), and four equivalent Bi(2) atoms to form distorted OTiZnBi4 octahedra that share corners with four equivalent O(4)TiZnBi4 octahedra, corners with four equivalent O(2)Mg2Zn2 trigonal pyramids, and edges with four equivalent O(4)TiZnBi4 octahedra. The corner-sharing octahedral tilt angles are 14°. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTiZn(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.786
_cell_length_b   3.786
_cell_length_c   11.316
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   162.195
_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  0.314  1.0
  Ti  Ti1  1  0.500  0.500  0.809  1.0
  Zn  Zn2  1  0.500  0.500  0.207  1.0
  Bi  Bi3  1  0.000  0.000  0.598  1.0
  Bi  Bi4  1  0.000  0.000  0.994  1.0
  O  O5  1  0.500  0.500  0.643  1.0
  O  O6  1  0.000  0.500  0.259  1.0
  O  O7  1  0.500  0.000  0.855  1.0
  O  O8  1  0.500  0.000  0.259  1.0
  O  O9  1  0.500  0.500  0.024  1.0
  O  O10  1  0.000  0.500  0.855  1.0
[/CIF]
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