The material structure described by Ba6MgNb2Ir(O6Cl)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), and three equivalent Cl(1) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(1), one O(5), one O(6), two equivalent O(2), two equivalent O(3), two equivalent O(4), and one Cl(1) atom. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one Ir(1), one O(1), one O(2), one O(3), one O(4), one O(5), and three equivalent O(6) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(5) atoms. Nb(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Ir(1) is bonded in a distorted square co-planar geometry to two equivalent Ba(3), two equivalent O(1), and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(3), one Mg(1), 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(1), one Ba(3), two equivalent Ba(2), and one Nb(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(2), and one Nb(1) atom. In the fourth O site, O(4) is bonded to one Ba(1), one Ba(3), two equivalent Ba(2), and one Nb(1) atom to form distorted OBa4Nb trigonal bipyramids that share corners with two equivalent O(5)Ba2MgNbIr trigonal bipyramids, corners with two equivalent O(4)Ba4Nb trigonal bipyramids, and  an edgeedge with one O(5)Ba2MgNbIr trigonal bipyramid. In the fifth O site, O(5) is bonded to one Ba(2), one Ba(3), one Mg(1), one Nb(1), and one Ir(1) atom to form distorted OBa2MgNbIr trigonal bipyramids that share corners with two equivalent O(5)Ba2MgNbIr trigonal bipyramids, corners with two equivalent O(4)Ba4Nb trigonal bipyramids, and  an edgeedge with one O(4)Ba4Nb trigonal bipyramid. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ba(2), three equivalent Ba(3), and one Nb(1) atom. Cl(1) is bonded in a distorted see-saw-like geometry to one Ba(2) and three equivalent Ba(1) atoms. is represented by the CIF file [CIF]
data_Ba6MgNb2Ir(ClO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.260
_cell_length_b   6.276
_cell_length_c   15.307
_cell_angle_alpha   82.755
_cell_angle_beta   96.973
_cell_angle_gamma   123.203
_symmetry_Int_Tables_number   1
_cell_volume   498.196
_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  0.282  0.728  0.361  1.0
  Ba  Ba1  1  0.402  0.585  0.778  1.0
  Ba  Ba2  1  0.718  0.272  0.639  1.0
  Ba  Ba3  1  0.739  0.250  0.895  1.0
  Ba  Ba4  1  0.261  0.750  0.105  1.0
  Ba  Ba5  1  0.598  0.415  0.222  1.0
  Mg  Mg6  1  0.500  0.500  0.000  1.0
  Nb  Nb7  1  0.081  0.906  0.820  1.0
  Nb  Nb8  1  0.919  0.094  0.180  1.0
  Ir  Ir9  1  0.000  0.000  0.000  1.0
  Cl  Cl10  1  0.669  0.326  0.427  1.0
  Cl  Cl11  1  0.331  0.674  0.573  1.0
  O  O12  1  0.282  0.220  0.919  1.0
  O  O13  1  0.377  0.121  0.751  1.0
  O  O14  1  0.111  0.378  0.252  1.0
  O  O15  1  0.889  0.622  0.748  1.0
  O  O16  1  0.906  0.094  0.772  1.0
  O  O17  1  0.718  0.780  0.081  1.0
  O  O18  1  0.094  0.906  0.228  1.0
  O  O19  1  0.229  0.295  0.086  1.0
  O  O20  1  0.749  0.248  0.101  1.0
  O  O21  1  0.771  0.705  0.914  1.0
  O  O22  1  0.623  0.879  0.249  1.0
  O  O23  1  0.251  0.752  0.899  1.0
[/CIF]
.
The material structure described by Ba6MgNb2Ir(O6Cl)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), and three equivalent Cl(1) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(1), one O(5), one O(6), two equivalent O(2), two equivalent O(3), two equivalent O(4), and one Cl(1) atom. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one Ir(1), one O(1), one O(2), one O(3), one O(4), one O(5), and three equivalent O(6) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(5) atoms. Nb(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Ir(1) is bonded in a distorted square co-planar geometry to two equivalent Ba(3), two equivalent O(1), and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(3), one Mg(1), 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(1), one Ba(3), two equivalent Ba(2), and one Nb(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(2), and one Nb(1) atom. In the fourth O site, O(4) is bonded to one Ba(1), one Ba(3), two equivalent Ba(2), and one Nb(1) atom to form distorted OBa4Nb trigonal bipyramids that share corners with two equivalent O(5)Ba2MgNbIr trigonal bipyramids, corners with two equivalent O(4)Ba4Nb trigonal bipyramids, and  an edgeedge with one O(5)Ba2MgNbIr trigonal bipyramid. In the fifth O site, O(5) is bonded to one Ba(2), one Ba(3), one Mg(1), one Nb(1), and one Ir(1) atom to form distorted OBa2MgNbIr trigonal bipyramids that share corners with two equivalent O(5)Ba2MgNbIr trigonal bipyramids, corners with two equivalent O(4)Ba4Nb trigonal bipyramids, and  an edgeedge with one O(4)Ba4Nb trigonal bipyramid. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ba(2), three equivalent Ba(3), and one Nb(1) atom. Cl(1) is bonded in a distorted see-saw-like geometry to one Ba(2) and three equivalent Ba(1) atoms. is represented by the CIF file [CIF]
data_Ba6MgNb2Ir(ClO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.260
_cell_length_b   6.276
_cell_length_c   15.307
_cell_angle_alpha   82.755
_cell_angle_beta   96.973
_cell_angle_gamma   123.203
_symmetry_Int_Tables_number   1
_cell_volume   498.196
_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  0.282  0.728  0.361  1.0
  Ba  Ba1  1  0.402  0.585  0.778  1.0
  Ba  Ba2  1  0.718  0.272  0.639  1.0
  Ba  Ba3  1  0.739  0.250  0.895  1.0
  Ba  Ba4  1  0.261  0.750  0.105  1.0
  Ba  Ba5  1  0.598  0.415  0.222  1.0
  Mg  Mg6  1  0.500  0.500  0.000  1.0
  Nb  Nb7  1  0.081  0.906  0.820  1.0
  Nb  Nb8  1  0.919  0.094  0.180  1.0
  Ir  Ir9  1  0.000  0.000  0.000  1.0
  Cl  Cl10  1  0.669  0.326  0.427  1.0
  Cl  Cl11  1  0.331  0.674  0.573  1.0
  O  O12  1  0.282  0.220  0.919  1.0
  O  O13  1  0.377  0.121  0.751  1.0
  O  O14  1  0.111  0.378  0.252  1.0
  O  O15  1  0.889  0.622  0.748  1.0
  O  O16  1  0.906  0.094  0.772  1.0
  O  O17  1  0.718  0.780  0.081  1.0
  O  O18  1  0.094  0.906  0.228  1.0
  O  O19  1  0.229  0.295  0.086  1.0
  O  O20  1  0.749  0.248  0.101  1.0
  O  O21  1  0.771  0.705  0.914  1.0
  O  O22  1  0.623  0.879  0.249  1.0
  O  O23  1  0.251  0.752  0.899  1.0
[/CIF]
.