The material described by Mg(BiO2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form MgO4 tetrahedra that share corners with three equivalent Bi(1)O6 octahedra, corners with three equivalent Bi(2)O6 octahedra, corners with three equivalent Bi(3)O6 octahedra, and corners with three equivalent Bi(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form BiO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Bi(2)O6 octahedra, edges with two equivalent Bi(3)O6 octahedra, and edges with two equivalent Bi(4)O6 octahedra. In the second Bi site, Bi(2) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form BiO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Bi(1)O6 octahedra, edges with two equivalent Bi(3)O6 octahedra, and edges with two equivalent Bi(4)O6 octahedra. In the third Bi site, Bi(3) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form BiO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Bi(1)O6 octahedra, edges with two equivalent Bi(2)O6 octahedra, and edges with two equivalent Bi(4)O6 octahedra. In the fourth Bi site, Bi(4) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form BiO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Bi(1)O6 octahedra, edges with two equivalent Bi(2)O6 octahedra, and edges with two equivalent Bi(3)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Bi(1), one Bi(2), and one Bi(3) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Bi(1), one Bi(2), and one Bi(4) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Bi(2), one Bi(3), and one Bi(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Bi(1), one Bi(3), and one Bi(4) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Bi(1), one Bi(3), and one Bi(4) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Bi(2), one Bi(3), and one Bi(4) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Bi(1), one Bi(2), and one Bi(4) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Bi(1), one Bi(2), and one Bi(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(BiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.923
_cell_length_b   6.927
_cell_length_c   6.926
_cell_angle_alpha   59.996
_cell_angle_beta   60.026
_cell_angle_gamma   60.005
_symmetry_Int_Tables_number   1
_cell_volume   234.907
_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  0.877  0.878  0.873  1.0
  Bi  Bi1  1  0.496  0.999  0.503  1.0
  Bi  Bi2  1  0.496  0.495  0.007  1.0
  Bi  Bi3  1  0.999  0.496  0.503  1.0
  Bi  Bi4  1  0.496  0.495  0.502  1.0
  O  O5  1  0.265  0.265  0.275  1.0
  O  O6  1  0.689  0.263  0.274  1.0
  O  O7  1  0.264  0.688  0.274  1.0
  O  O8  1  0.266  0.265  0.695  1.0
  O  O9  1  0.753  0.754  0.245  1.0
  O  O10  1  0.757  0.241  0.751  1.0
  O  O11  1  0.241  0.758  0.751  1.0
  O  O12  1  0.753  0.754  0.749  1.0
[/CIF]
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The material described by Mg(BiO2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form MgO4 tetrahedra that share corners with three equivalent Bi(1)O6 octahedra, corners with three equivalent Bi(2)O6 octahedra, corners with three equivalent Bi(3)O6 octahedra, and corners with three equivalent Bi(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form BiO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Bi(2)O6 octahedra, edges with two equivalent Bi(3)O6 octahedra, and edges with two equivalent Bi(4)O6 octahedra. In the second Bi site, Bi(2) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form BiO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Bi(1)O6 octahedra, edges with two equivalent Bi(3)O6 octahedra, and edges with two equivalent Bi(4)O6 octahedra. In the third Bi site, Bi(3) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form BiO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Bi(1)O6 octahedra, edges with two equivalent Bi(2)O6 octahedra, and edges with two equivalent Bi(4)O6 octahedra. In the fourth Bi site, Bi(4) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form BiO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Bi(1)O6 octahedra, edges with two equivalent Bi(2)O6 octahedra, and edges with two equivalent Bi(3)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Bi(1), one Bi(2), and one Bi(3) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Bi(1), one Bi(2), and one Bi(4) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Bi(2), one Bi(3), and one Bi(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Bi(1), one Bi(3), and one Bi(4) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Bi(1), one Bi(3), and one Bi(4) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Bi(2), one Bi(3), and one Bi(4) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Bi(1), one Bi(2), and one Bi(4) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Bi(1), one Bi(2), and one Bi(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(BiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.923
_cell_length_b   6.927
_cell_length_c   6.926
_cell_angle_alpha   59.996
_cell_angle_beta   60.026
_cell_angle_gamma   60.005
_symmetry_Int_Tables_number   1
_cell_volume   234.907
_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  0.877  0.878  0.873  1.0
  Bi  Bi1  1  0.496  0.999  0.503  1.0
  Bi  Bi2  1  0.496  0.495  0.007  1.0
  Bi  Bi3  1  0.999  0.496  0.503  1.0
  Bi  Bi4  1  0.496  0.495  0.502  1.0
  O  O5  1  0.265  0.265  0.275  1.0
  O  O6  1  0.689  0.263  0.274  1.0
  O  O7  1  0.264  0.688  0.274  1.0
  O  O8  1  0.266  0.265  0.695  1.0
  O  O9  1  0.753  0.754  0.245  1.0
  O  O10  1  0.757  0.241  0.751  1.0
  O  O11  1  0.241  0.758  0.751  1.0
  O  O12  1  0.753  0.754  0.749  1.0
[/CIF]
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