The material described by MgZn2Bi3O8 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Zn(1)O4 tetrahedra, edges with two equivalent Bi(1)O6 octahedra, and edges with two equivalent Zn(1)O4 tetrahedra. Zn(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form ZnO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Bi(1)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra, and  an edgeedge with one Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-65°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form BiO6 octahedra that share corners with two equivalent Zn(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Zn(1)O4 tetrahedra. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), and two equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Zn(1), and two equivalent Bi(2) atoms to form a mixture of distorted edge and corner-sharing OMgZnBi2 tetrahedra. In the second O site, O(2) is bonded to one Mg(1), one Zn(1), one Bi(1), and one Bi(2) atom to form a mixture of distorted edge and corner-sharing OMgZnBi2 tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Zn(1), one Bi(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Zn(1), one Bi(1), and one Bi(2) atom. is represented by the CIF card [CIF]
data_MgZn2Bi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.795
_cell_length_b   8.380
_cell_length_c   6.623
_cell_angle_alpha   112.395
_cell_angle_beta   132.686
_cell_angle_gamma   97.397
_symmetry_Int_Tables_number   1
_cell_volume   210.677
_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  0.500  0.500  1.0
  Zn  Zn1  1  0.641  0.757  0.303  1.0
  Zn  Zn2  1  0.359  0.243  0.697  1.0
  Bi  Bi3  1  0.500  1.000  1.000  1.0
  Bi  Bi4  1  0.900  0.686  0.966  1.0
  Bi  Bi5  1  0.100  0.314  0.034  1.0
  O  O6  1  0.179  0.546  0.967  1.0
  O  O7  1  0.821  0.454  0.033  1.0
  O  O8  1  1.000  0.767  0.679  1.0
  O  O9  1  0.000  0.233  0.321  1.0
  O  O10  1  0.495  0.292  0.115  1.0
  O  O11  1  0.717  0.046  0.486  1.0
  O  O12  1  0.283  0.954  0.514  1.0
  O  O13  1  0.505  0.708  0.885  1.0
[/CIF]
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The material described by MgZn2Bi3O8 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Zn(1)O4 tetrahedra, edges with two equivalent Bi(1)O6 octahedra, and edges with two equivalent Zn(1)O4 tetrahedra. Zn(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form ZnO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Bi(1)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra, and  an edgeedge with one Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-65°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form BiO6 octahedra that share corners with two equivalent Zn(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Zn(1)O4 tetrahedra. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), and two equivalent O(1) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Zn(1), and two equivalent Bi(2) atoms to form a mixture of distorted edge and corner-sharing OMgZnBi2 tetrahedra. In the second O site, O(2) is bonded to one Mg(1), one Zn(1), one Bi(1), and one Bi(2) atom to form a mixture of distorted edge and corner-sharing OMgZnBi2 tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Zn(1), one Bi(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Zn(1), one Bi(1), and one Bi(2) atom. is represented by the CIF card [CIF]
data_MgZn2Bi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.795
_cell_length_b   8.380
_cell_length_c   6.623
_cell_angle_alpha   112.395
_cell_angle_beta   132.686
_cell_angle_gamma   97.397
_symmetry_Int_Tables_number   1
_cell_volume   210.677
_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  0.500  0.500  1.0
  Zn  Zn1  1  0.641  0.757  0.303  1.0
  Zn  Zn2  1  0.359  0.243  0.697  1.0
  Bi  Bi3  1  0.500  1.000  1.000  1.0
  Bi  Bi4  1  0.900  0.686  0.966  1.0
  Bi  Bi5  1  0.100  0.314  0.034  1.0
  O  O6  1  0.179  0.546  0.967  1.0
  O  O7  1  0.821  0.454  0.033  1.0
  O  O8  1  1.000  0.767  0.679  1.0
  O  O9  1  0.000  0.233  0.321  1.0
  O  O10  1  0.495  0.292  0.115  1.0
  O  O11  1  0.717  0.046  0.486  1.0
  O  O12  1  0.283  0.954  0.514  1.0
  O  O13  1  0.505  0.708  0.885  1.0
[/CIF]
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