The material structure described by Ba6MgNb2Ir(O6Cl)2 crystallizes in the triclinic P1 space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one O(11), one O(3), one O(7), one Cl(2), and two equivalent Cl(1) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(1), one O(10), one O(12), two equivalent O(2), two equivalent O(4), two equivalent O(5), and one Cl(2) atom. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to one O(2), one O(4), one O(5), one Cl(1), and three equivalent Cl(2) atoms. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to one O(2), one O(4), one O(5), one O(9), two equivalent O(1), two equivalent O(10), and two equivalent O(12) atoms. In the fifth Ba site, Ba(5) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(12), one O(6), and one O(8) atom. In the sixth Ba site, Ba(6) is bonded in a 9-coordinate geometry to one O(6), one O(8), two equivalent O(11), two equivalent O(3), two equivalent O(7), and one Cl(1) atom. Mg(1) is bonded to one O(11), one O(3), one O(6), one O(7), and one O(8) atom to form MgO5 square pyramids that share corners with two equivalent Nb(2)O6 octahedra and  a faceface with one Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in an octahedral geometry to one O(1), one O(10), one O(12), one O(2), one O(4), and one O(5) atom. In the second Nb site, Nb(2) is bonded to one O(11), one O(3), one O(6), one O(7), one O(8), and one O(9) atom to form distorted NbO6 octahedra that share corners with two equivalent Mg(1)O5 square pyramids and  a faceface with one Mg(1)O5 square pyramid. Ir(1) is bonded in a distorted square co-planar geometry to one O(1), one O(10), one O(6), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(5), two equivalent Ba(4), one Nb(1), and one Ir(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Ba(3), one Ba(4), two equivalent Ba(2), and one Nb(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), two equivalent Ba(6), one Mg(1), and one Nb(2) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Ba(3), one Ba(4), two equivalent Ba(2), and one Nb(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ba(3), one Ba(4), two equivalent Ba(2), and one Nb(1) atom. In the sixth O site, O(6) is bonded to one Ba(5), one Ba(6), one Mg(1), one Nb(2), and one Ir(1) atom to form a mixture of face and edge-sharing OBa2MgNbIr square pyramids. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(6), one Mg(1), and one Nb(2) atom. In the eighth O site, O(8) is bonded to one Ba(5), one Ba(6), one Mg(1), one Nb(2), and one Ir(1) atom to form a mixture of face and edge-sharing OBa2MgNbIr square pyramids. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Ba(4) and one Nb(2) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(5), two equivalent Ba(4), one Nb(1), and one Ir(1) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Ba(1), two equivalent Ba(6), one Mg(1), and one Nb(2) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(5), two equivalent Ba(4), and one Nb(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to one Ba(3), one Ba(6), and two equivalent Ba(1) atoms. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), and three equivalent Ba(3) atoms. is represented by the CIF file [CIF]
data_Ba6MgNb2Ir(ClO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.007
_cell_length_b   6.019
_cell_length_c   16.086
_cell_angle_alpha   82.532
_cell_angle_beta   97.465
_cell_angle_gamma   120.056
_symmetry_Int_Tables_number   1
_cell_volume   497.693
_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  0.283  0.718  0.375  1.0
  Ba  Ba1  1  0.384  0.621  0.772  1.0
  Ba  Ba2  1  0.682  0.318  0.641  1.0
  Ba  Ba3  1  0.726  0.272  0.897  1.0
  Ba  Ba4  1  0.401  0.599  0.015  1.0
  Ba  Ba5  1  0.586  0.414  0.237  1.0
  Mg  Mg6  1  0.193  0.808  0.175  1.0
  Nb  Nb7  1  0.056  0.947  0.814  1.0
  Nb  Nb8  1  0.905  0.095  0.176  1.0
  Ir  Ir9  1  0.038  0.961  0.012  1.0
  Cl  Cl10  1  0.665  0.335  0.431  1.0
  Cl  Cl11  1  0.327  0.675  0.574  1.0
  O  O12  1  0.223  0.216  0.913  1.0
  O  O13  1  0.348  0.161  0.749  1.0
  O  O14  1  0.090  0.428  0.227  1.0
  O  O15  1  0.850  0.649  0.750  1.0
  O  O16  1  0.858  0.126  0.764  1.0
  O  O17  1  0.835  0.748  0.116  1.0
  O  O18  1  0.083  0.917  0.271  1.0
  O  O19  1  0.252  0.165  0.116  1.0
  O  O20  1  0.793  0.205  0.075  1.0
  O  O21  1  0.787  0.770  0.914  1.0
  O  O22  1  0.572  0.910  0.227  1.0
  O  O23  1  0.241  0.777  0.882  1.0
[/CIF]
.
The material structure described by Ba6MgNb2Ir(O6Cl)2 crystallizes in the triclinic P1 space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one O(11), one O(3), one O(7), one Cl(2), and two equivalent Cl(1) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(1), one O(10), one O(12), two equivalent O(2), two equivalent O(4), two equivalent O(5), and one Cl(2) atom. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to one O(2), one O(4), one O(5), one Cl(1), and three equivalent Cl(2) atoms. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to one O(2), one O(4), one O(5), one O(9), two equivalent O(1), two equivalent O(10), and two equivalent O(12) atoms. In the fifth Ba site, Ba(5) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(12), one O(6), and one O(8) atom. In the sixth Ba site, Ba(6) is bonded in a 9-coordinate geometry to one O(6), one O(8), two equivalent O(11), two equivalent O(3), two equivalent O(7), and one Cl(1) atom. Mg(1) is bonded to one O(11), one O(3), one O(6), one O(7), and one O(8) atom to form MgO5 square pyramids that share corners with two equivalent Nb(2)O6 octahedra and  a faceface with one Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in an octahedral geometry to one O(1), one O(10), one O(12), one O(2), one O(4), and one O(5) atom. In the second Nb site, Nb(2) is bonded to one O(11), one O(3), one O(6), one O(7), one O(8), and one O(9) atom to form distorted NbO6 octahedra that share corners with two equivalent Mg(1)O5 square pyramids and  a faceface with one Mg(1)O5 square pyramid. Ir(1) is bonded in a distorted square co-planar geometry to one O(1), one O(10), one O(6), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(5), two equivalent Ba(4), one Nb(1), and one Ir(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Ba(3), one Ba(4), two equivalent Ba(2), and one Nb(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), two equivalent Ba(6), one Mg(1), and one Nb(2) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Ba(3), one Ba(4), two equivalent Ba(2), and one Nb(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ba(3), one Ba(4), two equivalent Ba(2), and one Nb(1) atom. In the sixth O site, O(6) is bonded to one Ba(5), one Ba(6), one Mg(1), one Nb(2), and one Ir(1) atom to form a mixture of face and edge-sharing OBa2MgNbIr square pyramids. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(6), one Mg(1), and one Nb(2) atom. In the eighth O site, O(8) is bonded to one Ba(5), one Ba(6), one Mg(1), one Nb(2), and one Ir(1) atom to form a mixture of face and edge-sharing OBa2MgNbIr square pyramids. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Ba(4) and one Nb(2) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(5), two equivalent Ba(4), one Nb(1), and one Ir(1) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Ba(1), two equivalent Ba(6), one Mg(1), and one Nb(2) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(5), two equivalent Ba(4), and one Nb(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to one Ba(3), one Ba(6), and two equivalent Ba(1) atoms. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), and three equivalent Ba(3) atoms. is represented by the CIF file [CIF]
data_Ba6MgNb2Ir(ClO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.007
_cell_length_b   6.019
_cell_length_c   16.086
_cell_angle_alpha   82.532
_cell_angle_beta   97.465
_cell_angle_gamma   120.056
_symmetry_Int_Tables_number   1
_cell_volume   497.693
_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  0.283  0.718  0.375  1.0
  Ba  Ba1  1  0.384  0.621  0.772  1.0
  Ba  Ba2  1  0.682  0.318  0.641  1.0
  Ba  Ba3  1  0.726  0.272  0.897  1.0
  Ba  Ba4  1  0.401  0.599  0.015  1.0
  Ba  Ba5  1  0.586  0.414  0.237  1.0
  Mg  Mg6  1  0.193  0.808  0.175  1.0
  Nb  Nb7  1  0.056  0.947  0.814  1.0
  Nb  Nb8  1  0.905  0.095  0.176  1.0
  Ir  Ir9  1  0.038  0.961  0.012  1.0
  Cl  Cl10  1  0.665  0.335  0.431  1.0
  Cl  Cl11  1  0.327  0.675  0.574  1.0
  O  O12  1  0.223  0.216  0.913  1.0
  O  O13  1  0.348  0.161  0.749  1.0
  O  O14  1  0.090  0.428  0.227  1.0
  O  O15  1  0.850  0.649  0.750  1.0
  O  O16  1  0.858  0.126  0.764  1.0
  O  O17  1  0.835  0.748  0.116  1.0
  O  O18  1  0.083  0.917  0.271  1.0
  O  O19  1  0.252  0.165  0.116  1.0
  O  O20  1  0.793  0.205  0.075  1.0
  O  O21  1  0.787  0.770  0.914  1.0
  O  O22  1  0.572  0.910  0.227  1.0
  O  O23  1  0.241  0.777  0.882  1.0
[/CIF]
.