The compound described by MgCd2(BiO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CdO6 octahedra that share corners with three equivalent Cd(2)O6 octahedra, edges with three equivalent Bi(2)O6 octahedra, and  a faceface with one Cd(2)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second Cd site, Cd(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CdO6 octahedra that share corners with three equivalent Cd(1)O6 octahedra, corners with three equivalent Bi(2)O6 octahedra,  a faceface with one Cd(1)O6 octahedra, and  a faceface with one Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. In the second Bi site, Bi(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form BiO6 octahedra that share corners with three equivalent Cd(2)O6 octahedra, edges with three equivalent Cd(1)O6 octahedra, and  a faceface with one Cd(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Cd(1), one Cd(2), one Bi(1), and one Bi(2) atom to form a mixture of distorted corner and edge-sharing OCd2Bi2 trigonal pyramids. In the second O site, O(2) is bonded to one Cd(1), one Cd(2), one Bi(1), and one Bi(2) atom to form a mixture of distorted corner and edge-sharing OCd2Bi2 trigonal pyramids. In the third O site, O(3) is bonded to one Cd(1), one Cd(2), one Bi(1), and one Bi(2) atom to form a mixture of distorted corner and edge-sharing OCd2Bi2 trigonal pyramids. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Cd(1), one Cd(2), and one Bi(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mg(1), one Cd(1), one Cd(2), and one Bi(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), one Cd(1), one Cd(2), and one Bi(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCd2(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.807
_cell_length_b   5.807
_cell_length_c   6.799
_cell_angle_alpha   64.741
_cell_angle_beta   115.312
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   172.717
_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  0.747  0.253  0.240  1.0
  Cd  Cd1  1  0.518  0.482  0.554  1.0
  Cd  Cd2  1  0.344  0.658  0.028  1.0
  Bi  Bi3  1  0.970  0.032  0.907  1.0
  Bi  Bi4  1  0.159  0.842  0.476  1.0
  O  O5  1  0.938  0.758  0.744  1.0
  O  O6  1  0.565  0.063  0.746  1.0
  O  O7  1  0.245  0.436  0.746  1.0
  O  O8  1  0.740  0.573  0.264  1.0
  O  O9  1  0.426  0.903  0.262  1.0
  O  O10  1  0.098  0.261  0.262  1.0
[/CIF]
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The compound described by MgCd2(BiO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CdO6 octahedra that share corners with three equivalent Cd(2)O6 octahedra, edges with three equivalent Bi(2)O6 octahedra, and  a faceface with one Cd(2)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second Cd site, Cd(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CdO6 octahedra that share corners with three equivalent Cd(1)O6 octahedra, corners with three equivalent Bi(2)O6 octahedra,  a faceface with one Cd(1)O6 octahedra, and  a faceface with one Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. In the second Bi site, Bi(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form BiO6 octahedra that share corners with three equivalent Cd(2)O6 octahedra, edges with three equivalent Cd(1)O6 octahedra, and  a faceface with one Cd(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Cd(1), one Cd(2), one Bi(1), and one Bi(2) atom to form a mixture of distorted corner and edge-sharing OCd2Bi2 trigonal pyramids. In the second O site, O(2) is bonded to one Cd(1), one Cd(2), one Bi(1), and one Bi(2) atom to form a mixture of distorted corner and edge-sharing OCd2Bi2 trigonal pyramids. In the third O site, O(3) is bonded to one Cd(1), one Cd(2), one Bi(1), and one Bi(2) atom to form a mixture of distorted corner and edge-sharing OCd2Bi2 trigonal pyramids. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Cd(1), one Cd(2), and one Bi(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mg(1), one Cd(1), one Cd(2), and one Bi(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), one Cd(1), one Cd(2), and one Bi(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCd2(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.807
_cell_length_b   5.807
_cell_length_c   6.799
_cell_angle_alpha   64.741
_cell_angle_beta   115.312
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   172.717
_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  0.747  0.253  0.240  1.0
  Cd  Cd1  1  0.518  0.482  0.554  1.0
  Cd  Cd2  1  0.344  0.658  0.028  1.0
  Bi  Bi3  1  0.970  0.032  0.907  1.0
  Bi  Bi4  1  0.159  0.842  0.476  1.0
  O  O5  1  0.938  0.758  0.744  1.0
  O  O6  1  0.565  0.063  0.746  1.0
  O  O7  1  0.245  0.436  0.746  1.0
  O  O8  1  0.740  0.573  0.264  1.0
  O  O9  1  0.426  0.903  0.262  1.0
  O  O10  1  0.098  0.261  0.262  1.0
[/CIF]
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