The compound described by Mg(BiO2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1) and two equivalent O(5) atoms. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 4-coordinate geometry to one O(2), one O(7), and two equivalent O(4) atoms. In the second Bi site, Bi(2) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(6) atoms to form edge-sharing BiO6 octahedra. In the third Bi site, Bi(3) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form edge-sharing BiO6 octahedra. In the fourth Bi site, Bi(4) is bonded in a 6-coordinate geometry to one O(3), one O(5), two equivalent O(1), and two equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Bi(3), and two equivalent Bi(4) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Bi(1) and two equivalent Bi(3) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Bi(4) and two equivalent Bi(2) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Bi(2) and two equivalent Bi(1) atoms. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to two equivalent Mg(1) and one Bi(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Bi(3) and two equivalent Bi(2) atoms. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one Bi(1) and two equivalent Bi(4) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Bi(2) and two equivalent Bi(3) atoms. is represented by the CIF card [CIF]
data_Mg(BiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.468
_cell_length_b   8.549
_cell_length_c   8.978
_cell_angle_alpha   91.107
_cell_angle_beta   78.795
_cell_angle_gamma   78.031
_symmetry_Int_Tables_number   1
_cell_volume   254.946
_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  0.623  0.966  0.780  1.0
  Bi  Bi1  1  0.647  0.203  0.516  1.0
  Bi  Bi2  1  0.178  0.469  0.182  1.0
  Bi  Bi3  1  0.817  0.535  0.838  1.0
  Bi  Bi4  1  0.358  0.790  0.497  1.0
  O  O5  1  0.780  0.738  0.705  1.0
  O  O6  1  0.437  0.431  0.707  1.0
  O  O7  1  0.550  0.613  0.292  1.0
  O  O8  1  0.177  0.274  0.380  1.0
  O  O9  1  0.124  0.034  0.708  1.0
  O  O10  1  0.817  0.369  0.009  1.0
  O  O11  1  0.818  0.940  0.426  1.0
  O  O12  1  0.196  0.638  0.974  1.0
[/CIF]
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The compound described by Mg(BiO2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1) and two equivalent O(5) atoms. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 4-coordinate geometry to one O(2), one O(7), and two equivalent O(4) atoms. In the second Bi site, Bi(2) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(6) atoms to form edge-sharing BiO6 octahedra. In the third Bi site, Bi(3) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form edge-sharing BiO6 octahedra. In the fourth Bi site, Bi(4) is bonded in a 6-coordinate geometry to one O(3), one O(5), two equivalent O(1), and two equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Bi(3), and two equivalent Bi(4) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Bi(1) and two equivalent Bi(3) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Bi(4) and two equivalent Bi(2) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Bi(2) and two equivalent Bi(1) atoms. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to two equivalent Mg(1) and one Bi(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Bi(3) and two equivalent Bi(2) atoms. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one Bi(1) and two equivalent Bi(4) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Bi(2) and two equivalent Bi(3) atoms. is represented by the CIF card [CIF]
data_Mg(BiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.468
_cell_length_b   8.549
_cell_length_c   8.978
_cell_angle_alpha   91.107
_cell_angle_beta   78.795
_cell_angle_gamma   78.031
_symmetry_Int_Tables_number   1
_cell_volume   254.946
_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  0.623  0.966  0.780  1.0
  Bi  Bi1  1  0.647  0.203  0.516  1.0
  Bi  Bi2  1  0.178  0.469  0.182  1.0
  Bi  Bi3  1  0.817  0.535  0.838  1.0
  Bi  Bi4  1  0.358  0.790  0.497  1.0
  O  O5  1  0.780  0.738  0.705  1.0
  O  O6  1  0.437  0.431  0.707  1.0
  O  O7  1  0.550  0.613  0.292  1.0
  O  O8  1  0.177  0.274  0.380  1.0
  O  O9  1  0.124  0.034  0.708  1.0
  O  O10  1  0.817  0.369  0.009  1.0
  O  O11  1  0.818  0.940  0.426  1.0
  O  O12  1  0.196  0.638  0.974  1.0
[/CIF]
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