The material described by MgTiZn(BiO3)2 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a distorted L-shaped geometry to two equivalent O(2) atoms. Ti(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form TiO4 tetrahedra that share 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 distorted ZnO4 tetrahedra that share corners with two equivalent Ti(1)O4 tetrahedra. Bi(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Zn(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(1), and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(1), one Zn(1), and one Bi(1) atom. is represented by the CIF file [CIF]
data_MgTiZn(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.581
_cell_length_b   5.581
_cell_length_c   6.729
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.164
_symmetry_Int_Tables_number   1
_cell_volume   197.940
_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  0.151  0.849  0.000  1.0
  Ti  Ti1  1  0.461  0.539  0.000  1.0
  Zn  Zn2  1  0.464  0.536  0.500  1.0
  Bi  Bi3  1  0.844  0.156  0.750  1.0
  Bi  Bi4  1  0.844  0.156  0.250  1.0
  O  O5  1  0.092  0.358  0.500  1.0
  O  O6  1  0.642  0.908  0.500  1.0
  O  O7  1  0.112  0.483  0.000  1.0
  O  O8  1  0.517  0.888  0.000  1.0
  O  O9  1  0.569  0.431  0.768  1.0
  O  O10  1  0.569  0.431  0.232  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 a distorted L-shaped geometry to two equivalent O(2) atoms. Ti(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form TiO4 tetrahedra that share 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 distorted ZnO4 tetrahedra that share corners with two equivalent Ti(1)O4 tetrahedra. Bi(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Zn(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(1), and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(1), one Zn(1), and one Bi(1) atom. is represented by the CIF file [CIF]
data_MgTiZn(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.581
_cell_length_b   5.581
_cell_length_c   6.729
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.164
_symmetry_Int_Tables_number   1
_cell_volume   197.940
_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  0.151  0.849  0.000  1.0
  Ti  Ti1  1  0.461  0.539  0.000  1.0
  Zn  Zn2  1  0.464  0.536  0.500  1.0
  Bi  Bi3  1  0.844  0.156  0.750  1.0
  Bi  Bi4  1  0.844  0.156  0.250  1.0
  O  O5  1  0.092  0.358  0.500  1.0
  O  O6  1  0.642  0.908  0.500  1.0
  O  O7  1  0.112  0.483  0.000  1.0
  O  O8  1  0.517  0.888  0.000  1.0
  O  O9  1  0.569  0.431  0.768  1.0
  O  O10  1  0.569  0.431  0.232  1.0
[/CIF]
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