The compound described by Ba5MgBi3O11 crystallizes in the monoclinic Cm space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 4-coordinate geometry to one O(2), one O(5), one O(6), and one O(7) atom. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one O(6), one O(7), one O(8), one O(9), and two equivalent O(2) atoms. In the third Ba site, Ba(3) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(9), and two equivalent O(7) atoms. Mg(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), one O(4), and one O(5) atom. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(3), one O(6), one O(9), and two equivalent O(2) atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 3-30°. In the second Bi site, Bi(2) is bonded to one O(1), one O(5), one O(6), one O(8), and two equivalent O(2) 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 3-30°. In the third Bi site, Bi(3) is bonded to one O(4), one O(5), one O(8), and two equivalent O(7) atoms to form corner-sharing BiO5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 4-7°. 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 in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Bi(1), and one Bi(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(3), one Mg(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Ba(3), one Mg(1), and one Bi(3) atom. In the fifth O site, O(5) is bonded to two equivalent Ba(1), one Mg(1), one Bi(2), and one Bi(3) atom to form distorted edge-sharing OBa2MgBi2 trigonal bipyramids. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Bi(1), and one Bi(2) atom. In the seventh O site, O(7) is bonded to one Ba(1), one Ba(2), one Ba(3), and one Bi(3) atom to form distorted OBa3Bi trigonal pyramids that share  an edgeedge with one O(5)Ba2MgBi2 trigonal bipyramid and  an edgeedge with one O(7)Ba3Bi trigonal pyramid. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to two equivalent Ba(2), one Bi(2), and one Bi(3) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Ba(3), two equivalent Ba(2), and one Bi(1) atom. is represented by the CIF card [CIF]
data_Ba5MgBi3O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.578
_cell_length_b   6.578
_cell_length_c   9.516
_cell_angle_alpha   90.896
_cell_angle_beta   89.111
_cell_angle_gamma   84.753
_symmetry_Int_Tables_number   1
_cell_volume   409.911
_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  0.515  0.888  0.210  1.0
  Ba  Ba1  1  0.485  0.942  0.779  1.0
  Ba  Ba2  1  0.028  0.972  0.505  1.0
  Ba  Ba3  1  0.112  0.485  0.210  1.0
  Ba  Ba4  1  0.058  0.515  0.779  1.0
  Mg  Mg5  1  0.745  0.255  0.266  1.0
  Bi  Bi6  1  0.017  0.983  0.001  1.0
  Bi  Bi7  1  0.530  0.470  0.982  1.0
  Bi  Bi8  1  0.484  0.516  0.508  1.0
  O  O9  1  0.763  0.238  0.053  1.0
  O  O10  1  0.272  0.235  0.988  1.0
  O  O11  1  0.764  0.729  0.987  1.0
  O  O12  1  0.980  0.019  0.243  1.0
  O  O13  1  0.739  0.261  0.469  1.0
  O  O14  1  0.515  0.485  0.249  1.0
  O  O15  1  0.271  0.729  0.033  1.0
  O  O16  1  0.490  0.849  0.494  1.0
  O  O17  1  0.151  0.510  0.494  1.0
  O  O18  1  0.491  0.509  0.747  1.0
  O  O19  1  0.091  0.909  0.761  1.0
[/CIF]
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The compound described by Ba5MgBi3O11 crystallizes in the monoclinic Cm space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 4-coordinate geometry to one O(2), one O(5), one O(6), and one O(7) atom. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one O(6), one O(7), one O(8), one O(9), and two equivalent O(2) atoms. In the third Ba site, Ba(3) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(9), and two equivalent O(7) atoms. Mg(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), one O(4), and one O(5) atom. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(3), one O(6), one O(9), and two equivalent O(2) atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 3-30°. In the second Bi site, Bi(2) is bonded to one O(1), one O(5), one O(6), one O(8), and two equivalent O(2) 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 3-30°. In the third Bi site, Bi(3) is bonded to one O(4), one O(5), one O(8), and two equivalent O(7) atoms to form corner-sharing BiO5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 4-7°. 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 in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Bi(1), and one Bi(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(3), one Mg(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Ba(3), one Mg(1), and one Bi(3) atom. In the fifth O site, O(5) is bonded to two equivalent Ba(1), one Mg(1), one Bi(2), and one Bi(3) atom to form distorted edge-sharing OBa2MgBi2 trigonal bipyramids. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Bi(1), and one Bi(2) atom. In the seventh O site, O(7) is bonded to one Ba(1), one Ba(2), one Ba(3), and one Bi(3) atom to form distorted OBa3Bi trigonal pyramids that share  an edgeedge with one O(5)Ba2MgBi2 trigonal bipyramid and  an edgeedge with one O(7)Ba3Bi trigonal pyramid. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to two equivalent Ba(2), one Bi(2), and one Bi(3) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Ba(3), two equivalent Ba(2), and one Bi(1) atom. is represented by the CIF card [CIF]
data_Ba5MgBi3O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.578
_cell_length_b   6.578
_cell_length_c   9.516
_cell_angle_alpha   90.896
_cell_angle_beta   89.111
_cell_angle_gamma   84.753
_symmetry_Int_Tables_number   1
_cell_volume   409.911
_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  0.515  0.888  0.210  1.0
  Ba  Ba1  1  0.485  0.942  0.779  1.0
  Ba  Ba2  1  0.028  0.972  0.505  1.0
  Ba  Ba3  1  0.112  0.485  0.210  1.0
  Ba  Ba4  1  0.058  0.515  0.779  1.0
  Mg  Mg5  1  0.745  0.255  0.266  1.0
  Bi  Bi6  1  0.017  0.983  0.001  1.0
  Bi  Bi7  1  0.530  0.470  0.982  1.0
  Bi  Bi8  1  0.484  0.516  0.508  1.0
  O  O9  1  0.763  0.238  0.053  1.0
  O  O10  1  0.272  0.235  0.988  1.0
  O  O11  1  0.764  0.729  0.987  1.0
  O  O12  1  0.980  0.019  0.243  1.0
  O  O13  1  0.739  0.261  0.469  1.0
  O  O14  1  0.515  0.485  0.249  1.0
  O  O15  1  0.271  0.729  0.033  1.0
  O  O16  1  0.490  0.849  0.494  1.0
  O  O17  1  0.151  0.510  0.494  1.0
  O  O18  1  0.491  0.509  0.747  1.0
  O  O19  1  0.091  0.909  0.761  1.0
[/CIF]
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