The compound described by Ba5MgBi3O11 crystallizes in the triclinic P1 space group. There are five inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(3), and one O(7) atom. In the third Ba site, Ba(3) is bonded to one O(11), one O(4), one O(5), one O(8), and one O(9) atom to form distorted BaO5 square pyramids that share  a cornercorner with one Bi(1)O5 square pyramid,  a cornercorner with one Mg(1)O4 tetrahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. In the fourth Ba site, Ba(4) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. In the fifth Ba site, Ba(5) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(3), one O(7), and one O(9) atom. Mg(1) is bonded to one O(10), one O(11), one O(8), and one O(9) atom to form MgO4 tetrahedra that share  a cornercorner with one Bi(2)O6 octahedra,  a cornercorner with one Ba(3)O5 square pyramid, and  an edgeedge with one Ba(3)O5 square pyramid. The corner-sharing octahedral tilt angles are 38°. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(7) atom to form BiO5 square pyramids that share corners with four equivalent Bi(2)O6 octahedra and  a cornercorner with one Ba(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 17-26°. In the second Bi site, Bi(2) is bonded to one O(1), one O(10), one O(2), one O(3), one O(6), and one O(7) atom to form BiO6 octahedra that share corners with four equivalent Bi(1)O5 square pyramids and  a cornercorner with one Mg(1)O4 tetrahedra. In the third Bi site, Bi(3) is bonded in a distorted rectangular see-saw-like geometry to one O(5), one O(6), one O(8), and one O(9) atom. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), one Bi(1), and one Bi(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(4), one Ba(5), one Bi(1), and one Bi(2) atom. In the third O site, O(3) is bonded to one Ba(1), one Ba(2), one Ba(4), one Ba(5), one Bi(1), and one Bi(2) atom to form a mixture of distorted corner and edge-sharing OBa4Bi2 octahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), and one Bi(3) atom. In the sixth O site, O(6) is bonded to one Ba(1), one Ba(4), one Bi(2), and one Bi(3) atom to form a mixture of distorted corner and edge-sharing OBa2Bi2 tetrahedra. The corner-sharing octahedral tilt angles are 69°. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Ba(5), one Bi(1), and one Bi(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), one Mg(1), and one Bi(3) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Ba(3), one Ba(4), one Ba(5), one Mg(1), and one Bi(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(5), one Mg(1), and one Bi(2) atom. In the eleventh O site, O(11) is bonded in a distorted see-saw-like geometry to one Ba(2), one Ba(3), one Ba(5), and one Mg(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba5MgBi3O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.441
_cell_length_b   6.526
_cell_length_c   9.856
_cell_angle_alpha   91.144
_cell_angle_beta   81.643
_cell_angle_gamma   89.130
_symmetry_Int_Tables_number   1
_cell_volume   409.779
_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
  Ba  Ba0  1  0.517  0.968  0.229  1.0
  Ba  Ba1  1  0.616  0.026  0.828  1.0
  Ba  Ba2  1  0.935  0.052  0.484  1.0
  Ba  Ba3  1  0.971  0.489  0.242  1.0
  Ba  Ba4  1  0.093  0.530  0.823  1.0
  Mg  Mg5  1  0.815  0.595  0.607  1.0
  Bi  Bi6  1  0.064  0.008  0.023  1.0
  Bi  Bi7  1  0.551  0.503  0.003  1.0
  Bi  Bi8  1  0.416  0.505  0.461  1.0
  O  O9  1  0.774  0.231  0.040  1.0
  O  O10  1  0.290  0.273  0.982  1.0
  O  O11  1  0.815  0.731  0.043  1.0
  O  O12  1  0.093  0.028  0.231  1.0
  O  O13  1  0.589  0.228  0.422  1.0
  O  O14  1  0.376  0.566  0.255  1.0
  O  O15  1  0.339  0.776  0.963  1.0
  O  O16  1  0.708  0.705  0.441  1.0
  O  O17  1  0.060  0.415  0.534  1.0
  O  O18  1  0.663  0.452  0.777  1.0
  O  O19  1  0.932  0.834  0.698  1.0
[/CIF]
.
The compound described by Ba5MgBi3O11 crystallizes in the triclinic P1 space group. There are five inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(3), and one O(7) atom. In the third Ba site, Ba(3) is bonded to one O(11), one O(4), one O(5), one O(8), and one O(9) atom to form distorted BaO5 square pyramids that share  a cornercorner with one Bi(1)O5 square pyramid,  a cornercorner with one Mg(1)O4 tetrahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. In the fourth Ba site, Ba(4) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. In the fifth Ba site, Ba(5) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(3), one O(7), and one O(9) atom. Mg(1) is bonded to one O(10), one O(11), one O(8), and one O(9) atom to form MgO4 tetrahedra that share  a cornercorner with one Bi(2)O6 octahedra,  a cornercorner with one Ba(3)O5 square pyramid, and  an edgeedge with one Ba(3)O5 square pyramid. The corner-sharing octahedral tilt angles are 38°. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(7) atom to form BiO5 square pyramids that share corners with four equivalent Bi(2)O6 octahedra and  a cornercorner with one Ba(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 17-26°. In the second Bi site, Bi(2) is bonded to one O(1), one O(10), one O(2), one O(3), one O(6), and one O(7) atom to form BiO6 octahedra that share corners with four equivalent Bi(1)O5 square pyramids and  a cornercorner with one Mg(1)O4 tetrahedra. In the third Bi site, Bi(3) is bonded in a distorted rectangular see-saw-like geometry to one O(5), one O(6), one O(8), and one O(9) atom. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), one Bi(1), and one Bi(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(4), one Ba(5), one Bi(1), and one Bi(2) atom. In the third O site, O(3) is bonded to one Ba(1), one Ba(2), one Ba(4), one Ba(5), one Bi(1), and one Bi(2) atom to form a mixture of distorted corner and edge-sharing OBa4Bi2 octahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), and one Bi(3) atom. In the sixth O site, O(6) is bonded to one Ba(1), one Ba(4), one Bi(2), and one Bi(3) atom to form a mixture of distorted corner and edge-sharing OBa2Bi2 tetrahedra. The corner-sharing octahedral tilt angles are 69°. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Ba(5), one Bi(1), and one Bi(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), one Mg(1), and one Bi(3) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Ba(3), one Ba(4), one Ba(5), one Mg(1), and one Bi(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(5), one Mg(1), and one Bi(2) atom. In the eleventh O site, O(11) is bonded in a distorted see-saw-like geometry to one Ba(2), one Ba(3), one Ba(5), and one Mg(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba5MgBi3O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.441
_cell_length_b   6.526
_cell_length_c   9.856
_cell_angle_alpha   91.144
_cell_angle_beta   81.643
_cell_angle_gamma   89.130
_symmetry_Int_Tables_number   1
_cell_volume   409.779
_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
  Ba  Ba0  1  0.517  0.968  0.229  1.0
  Ba  Ba1  1  0.616  0.026  0.828  1.0
  Ba  Ba2  1  0.935  0.052  0.484  1.0
  Ba  Ba3  1  0.971  0.489  0.242  1.0
  Ba  Ba4  1  0.093  0.530  0.823  1.0
  Mg  Mg5  1  0.815  0.595  0.607  1.0
  Bi  Bi6  1  0.064  0.008  0.023  1.0
  Bi  Bi7  1  0.551  0.503  0.003  1.0
  Bi  Bi8  1  0.416  0.505  0.461  1.0
  O  O9  1  0.774  0.231  0.040  1.0
  O  O10  1  0.290  0.273  0.982  1.0
  O  O11  1  0.815  0.731  0.043  1.0
  O  O12  1  0.093  0.028  0.231  1.0
  O  O13  1  0.589  0.228  0.422  1.0
  O  O14  1  0.376  0.566  0.255  1.0
  O  O15  1  0.339  0.776  0.963  1.0
  O  O16  1  0.708  0.705  0.441  1.0
  O  O17  1  0.060  0.415  0.534  1.0
  O  O18  1  0.663  0.452  0.777  1.0
  O  O19  1  0.932  0.834  0.698  1.0
[/CIF]
.