The material described by MgTiZn(BiO3)2 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in an L-shaped geometry to two equivalent O(1) atoms. Ti(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form TiO4 tetrahedra that share corners with six equivalent Bi(1)O5 square pyramids and corners with two equivalent Zn(1)O4 tetrahedra. Zn(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with six equivalent Bi(1)O5 square pyramids and corners with two equivalent Ti(1)O4 tetrahedra. Bi(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted BiO5 square pyramids that share corners with three equivalent Ti(1)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, and edges with two equivalent Bi(1)O5 square pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Zn(1), and two equivalent Bi(1) atoms to form distorted edge-sharing OMgZnBi2 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ti(1), one Zn(1), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTiZn(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.535
_cell_length_b   5.535
_cell_length_c   6.806
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.679
_symmetry_Int_Tables_number   1
_cell_volume   193.767
_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  0.158  0.840  0.500  1.0
  Ti  Ti1  1  0.475  0.523  0.000  1.0
  Zn  Zn2  1  0.472  0.526  0.500  1.0
  Bi  Bi3  1  0.846  0.152  0.738  1.0
  Bi  Bi4  1  0.846  0.152  0.262  1.0
  O  O5  1  0.076  0.463  0.500  1.0
  O  O6  1  0.535  0.923  0.500  1.0
  O  O7  1  0.121  0.394  0.000  1.0
  O  O8  1  0.605  0.877  0.000  1.0
  O  O9  1  0.576  0.423  0.760  1.0
  O  O10  1  0.576  0.423  0.240  1.0
[/CIF]
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The material described by MgTiZn(BiO3)2 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in an L-shaped geometry to two equivalent O(1) atoms. Ti(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form TiO4 tetrahedra that share corners with six equivalent Bi(1)O5 square pyramids and corners with two equivalent Zn(1)O4 tetrahedra. Zn(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with six equivalent Bi(1)O5 square pyramids and corners with two equivalent Ti(1)O4 tetrahedra. Bi(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted BiO5 square pyramids that share corners with three equivalent Ti(1)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, and edges with two equivalent Bi(1)O5 square pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Zn(1), and two equivalent Bi(1) atoms to form distorted edge-sharing OMgZnBi2 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ti(1), one Zn(1), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTiZn(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.535
_cell_length_b   5.535
_cell_length_c   6.806
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.679
_symmetry_Int_Tables_number   1
_cell_volume   193.767
_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  0.158  0.840  0.500  1.0
  Ti  Ti1  1  0.475  0.523  0.000  1.0
  Zn  Zn2  1  0.472  0.526  0.500  1.0
  Bi  Bi3  1  0.846  0.152  0.738  1.0
  Bi  Bi4  1  0.846  0.152  0.262  1.0
  O  O5  1  0.076  0.463  0.500  1.0
  O  O6  1  0.535  0.923  0.500  1.0
  O  O7  1  0.121  0.394  0.000  1.0
  O  O8  1  0.605  0.877  0.000  1.0
  O  O9  1  0.576  0.423  0.760  1.0
  O  O10  1  0.576  0.423  0.240  1.0
[/CIF]
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