The material described by Ba5MgBi3O11 crystallizes in the monoclinic Pm space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the second Ba site, Ba(2) is bonded to one O(5), one O(8), one O(9), and two equivalent O(4) atoms to form distorted BaO5 trigonal bipyramids that share corners with two equivalent Bi(1)O6 octahedra and corners with three equivalent Bi(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 28°. In the third Ba site, Ba(3) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(6), one O(7), and one O(9) atom. Mg(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(7) atom. 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(7), and two equivalent O(4) atoms to form distorted BiO6 octahedra that share corners with four equivalent Bi(2)O6 octahedra and corners with two equivalent Ba(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 3-23°. In the second Bi site, Bi(2) is bonded to one O(1), one O(2), one O(3), one O(7), and two equivalent O(6) atoms to form BiO6 octahedra that share corners with four equivalent Bi(1)O6 octahedra and corners with two equivalent Bi(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 3-23°. In the third Bi site, Bi(3) is bonded to one O(5), one O(8), one O(9), and two equivalent O(6) atoms to form distorted BiO5 trigonal bipyramids that share corners with two equivalent Bi(2)O6 octahedra and corners with three equivalent Ba(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 16°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one Bi(1), and one Bi(2) atom. In the second O site, O(2) is bonded to two equivalent Ba(3), one Mg(1), one Bi(1), and one Bi(2) atom to form distorted corner-sharing OBa2MgBi2 trigonal bipyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Mg(1), one Bi(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded to one Ba(1), one Ba(2), one Ba(3), and one Bi(1) atom to form OBa3Bi trigonal pyramids that share corners with two equivalent O(9)Ba3Bi tetrahedra, corners with two equivalent O(2)Ba2MgBi2 trigonal bipyramids, corners with two equivalent O(4)Ba3Bi trigonal pyramids, and  an edgeedge with one O(5)Ba3Bi trigonal pyramid. In the fifth O site, O(5) is bonded to one Ba(2), two equivalent Ba(1), and one Bi(3) atom to form a mixture of distorted corner and edge-sharing OBa3Bi trigonal pyramids. In the sixth O site, O(6) is bonded in a see-saw-like geometry to one Ba(1), one Ba(3), one Bi(2), and one Bi(3) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to two equivalent Ba(3), one Mg(1), one Bi(1), and one Bi(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ba(2), two equivalent Ba(1), and one Bi(3) atom. In the ninth O site, O(9) is bonded to one Ba(2), two equivalent Ba(3), and one Bi(3) atom to form distorted OBa3Bi tetrahedra that share corners with two equivalent O(2)Ba2MgBi2 trigonal bipyramids, corners with two equivalent O(5)Ba3Bi trigonal pyramids, and corners with four equivalent O(4)Ba3Bi trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba5MgBi3O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.791
_cell_length_b   6.454
_cell_length_c   9.502
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   88.944
_symmetry_Int_Tables_number   1
_cell_volume   416.394
_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  0.623  0.912  0.286  1.0
  Ba  Ba1  1  0.623  0.912  0.714  1.0
  Ba  Ba2  1  0.049  0.032  0.500  1.0
  Ba  Ba3  1  0.081  0.524  0.242  1.0
  Ba  Ba4  1  0.081  0.524  0.758  1.0
  Mg  Mg5  1  0.439  0.041  0.000  1.0
  Bi  Bi6  1  0.981  0.009  0.000  1.0
  Bi  Bi7  1  0.493  0.520  0.000  1.0
  Bi  Bi8  1  0.516  0.464  0.500  1.0
  O  O9  1  0.673  0.230  0.000  1.0
  O  O10  1  0.228  0.271  0.000  1.0
  O  O11  1  0.677  0.808  0.000  1.0
  O  O12  1  0.993  0.929  0.241  1.0
  O  O13  1  0.667  0.169  0.500  1.0
  O  O14  1  0.472  0.530  0.252  1.0
  O  O15  1  0.255  0.799  0.000  1.0
  O  O16  1  0.756  0.708  0.500  1.0
  O  O17  1  0.178  0.406  0.500  1.0
  O  O18  1  0.472  0.530  0.748  1.0
  O  O19  1  0.993  0.929  0.759  1.0
[/CIF]
.
The material described by Ba5MgBi3O11 crystallizes in the monoclinic Pm space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the second Ba site, Ba(2) is bonded to one O(5), one O(8), one O(9), and two equivalent O(4) atoms to form distorted BaO5 trigonal bipyramids that share corners with two equivalent Bi(1)O6 octahedra and corners with three equivalent Bi(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 28°. In the third Ba site, Ba(3) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(6), one O(7), and one O(9) atom. Mg(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(7) atom. 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(7), and two equivalent O(4) atoms to form distorted BiO6 octahedra that share corners with four equivalent Bi(2)O6 octahedra and corners with two equivalent Ba(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 3-23°. In the second Bi site, Bi(2) is bonded to one O(1), one O(2), one O(3), one O(7), and two equivalent O(6) atoms to form BiO6 octahedra that share corners with four equivalent Bi(1)O6 octahedra and corners with two equivalent Bi(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 3-23°. In the third Bi site, Bi(3) is bonded to one O(5), one O(8), one O(9), and two equivalent O(6) atoms to form distorted BiO5 trigonal bipyramids that share corners with two equivalent Bi(2)O6 octahedra and corners with three equivalent Ba(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 16°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one Bi(1), and one Bi(2) atom. In the second O site, O(2) is bonded to two equivalent Ba(3), one Mg(1), one Bi(1), and one Bi(2) atom to form distorted corner-sharing OBa2MgBi2 trigonal bipyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Mg(1), one Bi(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded to one Ba(1), one Ba(2), one Ba(3), and one Bi(1) atom to form OBa3Bi trigonal pyramids that share corners with two equivalent O(9)Ba3Bi tetrahedra, corners with two equivalent O(2)Ba2MgBi2 trigonal bipyramids, corners with two equivalent O(4)Ba3Bi trigonal pyramids, and  an edgeedge with one O(5)Ba3Bi trigonal pyramid. In the fifth O site, O(5) is bonded to one Ba(2), two equivalent Ba(1), and one Bi(3) atom to form a mixture of distorted corner and edge-sharing OBa3Bi trigonal pyramids. In the sixth O site, O(6) is bonded in a see-saw-like geometry to one Ba(1), one Ba(3), one Bi(2), and one Bi(3) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to two equivalent Ba(3), one Mg(1), one Bi(1), and one Bi(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ba(2), two equivalent Ba(1), and one Bi(3) atom. In the ninth O site, O(9) is bonded to one Ba(2), two equivalent Ba(3), and one Bi(3) atom to form distorted OBa3Bi tetrahedra that share corners with two equivalent O(2)Ba2MgBi2 trigonal bipyramids, corners with two equivalent O(5)Ba3Bi trigonal pyramids, and corners with four equivalent O(4)Ba3Bi trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba5MgBi3O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.791
_cell_length_b   6.454
_cell_length_c   9.502
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   88.944
_symmetry_Int_Tables_number   1
_cell_volume   416.394
_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  0.623  0.912  0.286  1.0
  Ba  Ba1  1  0.623  0.912  0.714  1.0
  Ba  Ba2  1  0.049  0.032  0.500  1.0
  Ba  Ba3  1  0.081  0.524  0.242  1.0
  Ba  Ba4  1  0.081  0.524  0.758  1.0
  Mg  Mg5  1  0.439  0.041  0.000  1.0
  Bi  Bi6  1  0.981  0.009  0.000  1.0
  Bi  Bi7  1  0.493  0.520  0.000  1.0
  Bi  Bi8  1  0.516  0.464  0.500  1.0
  O  O9  1  0.673  0.230  0.000  1.0
  O  O10  1  0.228  0.271  0.000  1.0
  O  O11  1  0.677  0.808  0.000  1.0
  O  O12  1  0.993  0.929  0.241  1.0
  O  O13  1  0.667  0.169  0.500  1.0
  O  O14  1  0.472  0.530  0.252  1.0
  O  O15  1  0.255  0.799  0.000  1.0
  O  O16  1  0.756  0.708  0.500  1.0
  O  O17  1  0.178  0.406  0.500  1.0
  O  O18  1  0.472  0.530  0.748  1.0
  O  O19  1  0.993  0.929  0.759  1.0
[/CIF]
.