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 to one O(11), one O(3), one O(7), one Cl(2), and two equivalent Cl(1) atoms to form a mixture of distorted edge and corner-sharing BaCl3O3 pentagonal pyramids. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(4), two equivalent O(5), and one Cl(2) atom. In the third Ba site, Ba(3) is bonded to one O(2), one O(4), one O(5), one Cl(1), and two equivalent Cl(2) atoms to form distorted BaCl3O3 pentagonal pyramids that share corners with three equivalent Nb(1)O6 octahedra, corners with two equivalent Ba(3)Cl3O3 pentagonal pyramids, and edges with two equivalent Ba(1)Cl3O3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 22-31°. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to one Mg(1), one O(1), one O(10), one O(2), one O(4), one O(5), one O(6), one O(8), and two equivalent O(12) atoms. In the fifth Ba site, Ba(5) is bonded in a 11-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(7), two equivalent O(6), two equivalent O(8), and two equivalent O(9) atoms. In the sixth Ba site, Ba(6) is bonded in a 8-coordinate geometry to one O(11), one O(3), one O(6), one O(8), one O(9), two equivalent O(7), and one Cl(1) atom. Mg(1) is bonded to one Ba(4), one O(1), one O(10), one O(6), one O(8), and one O(9) atom to form distorted MgBaO5 square pyramids that share  a cornercorner with one O(5)Ba4Nb trigonal bipyramid and  an edgeedge with one Nb(1)O6 octahedra. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(4), and one O(5) atom to form NbO6 octahedra that share corners with three equivalent Ba(3)Cl3O3 pentagonal pyramids and  an edgeedge with one Mg(1)BaO5 square pyramid. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one O(11), one O(3), one O(6), one O(7), one O(8), and one O(9) atom. Ir(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(12), one O(6), one O(8), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(4), one Ba(5), one Mg(1), one Nb(1), and one Ir(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Ba(2), one Ba(3), one Ba(4), 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(5), one Ba(6), and one Nb(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Ba(2), one Ba(3), one Ba(4), and one Nb(1) atom. In the fifth O site, O(5) is bonded to one Ba(3), one Ba(4), two equivalent Ba(2), and one Nb(1) atom to form distorted OBa4Nb trigonal bipyramids that share  a cornercorner with one Mg(1)BaO5 square pyramid and corners with two equivalent O(5)Ba4Nb trigonal bipyramids. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to one Ba(4), one Ba(6), two equivalent Ba(5), one Mg(1), one Nb(2), and one Ir(1) atom. In the seventh O site, O(7) is bonded to one Ba(1), one Ba(5), two equivalent Ba(6), and one Nb(2) atom to form distorted corner-sharing OBa4Nb square pyramids. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ba(4), one Ba(6), two equivalent Ba(5), one Mg(1), one Nb(2), and one Ir(1) atom. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Ba(6), two equivalent Ba(5), one Mg(1), one Nb(2), and one Ir(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Ba(4), one Ba(5), one Mg(1), one Nb(1), and one Ir(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(5), one Ba(6), and one Nb(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ba(2), two equivalent Ba(4), one Nb(1), and one Ir(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted see-saw-like 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 distorted see-saw-like geometry to one Ba(1), one Ba(2), and two equivalent Ba(3) atoms. is represented by the CIF card [CIF]
data_Ba6MgNb2Ir(ClO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.262
_cell_length_b   6.265
_cell_length_c   15.326
_cell_angle_alpha   99.168
_cell_angle_beta   80.804
_cell_angle_gamma   123.323
_symmetry_Int_Tables_number   1
_cell_volume   494.128
_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  0.309  0.693  0.354  1.0
  Ba  Ba1  1  0.334  0.667  0.767  1.0
  Ba  Ba2  1  0.692  0.310  0.637  1.0
  Ba  Ba3  1  0.604  0.398  0.891  1.0
  Ba  Ba4  1  0.360  0.642  0.092  1.0
  Ba  Ba5  1  0.657  0.345  0.232  1.0
  Mg  Mg6  1  0.777  0.225  0.019  1.0
  Nb  Nb7  1  0.980  0.022  0.818  1.0
  Nb  Nb8  1  0.024  0.978  0.174  1.0
  Ir  Ir9  1  0.032  0.966  0.002  1.0
  Cl  Cl10  1  0.688  0.313  0.432  1.0
  Cl  Cl11  1  0.305  0.697  0.569  1.0
  O  O12  1  0.128  0.300  0.938  1.0
  O  O13  1  0.301  0.219  0.749  1.0
  O  O14  1  0.208  0.303  0.241  1.0
  O  O15  1  0.783  0.701  0.748  1.0
  O  O16  1  0.819  0.184  0.775  1.0
  O  O17  1  0.897  0.622  0.062  1.0
  O  O18  1  0.174  0.825  0.232  1.0
  O  O19  1  0.373  0.098  0.063  1.0
  O  O20  1  0.854  0.145  0.121  1.0
  O  O21  1  0.700  0.874  0.938  1.0
  O  O22  1  0.698  0.792  0.241  1.0
  O  O23  1  0.136  0.861  0.870  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 to one O(11), one O(3), one O(7), one Cl(2), and two equivalent Cl(1) atoms to form a mixture of distorted edge and corner-sharing BaCl3O3 pentagonal pyramids. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(4), two equivalent O(5), and one Cl(2) atom. In the third Ba site, Ba(3) is bonded to one O(2), one O(4), one O(5), one Cl(1), and two equivalent Cl(2) atoms to form distorted BaCl3O3 pentagonal pyramids that share corners with three equivalent Nb(1)O6 octahedra, corners with two equivalent Ba(3)Cl3O3 pentagonal pyramids, and edges with two equivalent Ba(1)Cl3O3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 22-31°. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to one Mg(1), one O(1), one O(10), one O(2), one O(4), one O(5), one O(6), one O(8), and two equivalent O(12) atoms. In the fifth Ba site, Ba(5) is bonded in a 11-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(7), two equivalent O(6), two equivalent O(8), and two equivalent O(9) atoms. In the sixth Ba site, Ba(6) is bonded in a 8-coordinate geometry to one O(11), one O(3), one O(6), one O(8), one O(9), two equivalent O(7), and one Cl(1) atom. Mg(1) is bonded to one Ba(4), one O(1), one O(10), one O(6), one O(8), and one O(9) atom to form distorted MgBaO5 square pyramids that share  a cornercorner with one O(5)Ba4Nb trigonal bipyramid and  an edgeedge with one Nb(1)O6 octahedra. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(4), and one O(5) atom to form NbO6 octahedra that share corners with three equivalent Ba(3)Cl3O3 pentagonal pyramids and  an edgeedge with one Mg(1)BaO5 square pyramid. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one O(11), one O(3), one O(6), one O(7), one O(8), and one O(9) atom. Ir(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(12), one O(6), one O(8), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(4), one Ba(5), one Mg(1), one Nb(1), and one Ir(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Ba(2), one Ba(3), one Ba(4), 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(5), one Ba(6), and one Nb(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Ba(2), one Ba(3), one Ba(4), and one Nb(1) atom. In the fifth O site, O(5) is bonded to one Ba(3), one Ba(4), two equivalent Ba(2), and one Nb(1) atom to form distorted OBa4Nb trigonal bipyramids that share  a cornercorner with one Mg(1)BaO5 square pyramid and corners with two equivalent O(5)Ba4Nb trigonal bipyramids. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to one Ba(4), one Ba(6), two equivalent Ba(5), one Mg(1), one Nb(2), and one Ir(1) atom. In the seventh O site, O(7) is bonded to one Ba(1), one Ba(5), two equivalent Ba(6), and one Nb(2) atom to form distorted corner-sharing OBa4Nb square pyramids. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ba(4), one Ba(6), two equivalent Ba(5), one Mg(1), one Nb(2), and one Ir(1) atom. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Ba(6), two equivalent Ba(5), one Mg(1), one Nb(2), and one Ir(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Ba(4), one Ba(5), one Mg(1), one Nb(1), and one Ir(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(5), one Ba(6), and one Nb(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ba(2), two equivalent Ba(4), one Nb(1), and one Ir(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted see-saw-like 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 distorted see-saw-like geometry to one Ba(1), one Ba(2), and two equivalent Ba(3) atoms. is represented by the CIF card [CIF]
data_Ba6MgNb2Ir(ClO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.262
_cell_length_b   6.265
_cell_length_c   15.326
_cell_angle_alpha   99.168
_cell_angle_beta   80.804
_cell_angle_gamma   123.323
_symmetry_Int_Tables_number   1
_cell_volume   494.128
_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  0.309  0.693  0.354  1.0
  Ba  Ba1  1  0.334  0.667  0.767  1.0
  Ba  Ba2  1  0.692  0.310  0.637  1.0
  Ba  Ba3  1  0.604  0.398  0.891  1.0
  Ba  Ba4  1  0.360  0.642  0.092  1.0
  Ba  Ba5  1  0.657  0.345  0.232  1.0
  Mg  Mg6  1  0.777  0.225  0.019  1.0
  Nb  Nb7  1  0.980  0.022  0.818  1.0
  Nb  Nb8  1  0.024  0.978  0.174  1.0
  Ir  Ir9  1  0.032  0.966  0.002  1.0
  Cl  Cl10  1  0.688  0.313  0.432  1.0
  Cl  Cl11  1  0.305  0.697  0.569  1.0
  O  O12  1  0.128  0.300  0.938  1.0
  O  O13  1  0.301  0.219  0.749  1.0
  O  O14  1  0.208  0.303  0.241  1.0
  O  O15  1  0.783  0.701  0.748  1.0
  O  O16  1  0.819  0.184  0.775  1.0
  O  O17  1  0.897  0.622  0.062  1.0
  O  O18  1  0.174  0.825  0.232  1.0
  O  O19  1  0.373  0.098  0.063  1.0
  O  O20  1  0.854  0.145  0.121  1.0
  O  O21  1  0.700  0.874  0.938  1.0
  O  O22  1  0.698  0.792  0.241  1.0
  O  O23  1  0.136  0.861  0.870  1.0
[/CIF]
.