The structure described by MgIr2(WO6)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(4), and one O(9) atom to form WO6 octahedra that share corners with two equivalent Ir(1)O6 octahedra and corners with four equivalent Ir(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-41°. In the second W site, W(2) is bonded to one O(11), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form WO6 octahedra that share corners with two equivalent Ir(2)O6 octahedra and corners with four equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-42°. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to one O(1), one O(11), one O(12), one O(3), one O(5), and one O(8) atom to form IrO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-42°. In the second Ir site, Ir(2) is bonded to one O(10), one O(2), one O(4), one O(6), one O(7), and one O(9) atom to form IrO6 octahedra that share corners with two equivalent W(2)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-41°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one W(1), and one Ir(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one W(1) and one Ir(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one W(2) and one Ir(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Mg(1), one W(1), and one Ir(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1), one W(2), and one Ir(1) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Mg(1), one W(2), and one Ir(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one W(2) and one Ir(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mg(1), one W(2), and one Ir(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mg(1), one W(1), and one Ir(2) atom. In the tenth O site, O(10) is bonded in a T-shaped geometry to one Mg(1), one W(1), and one Ir(2) atom. In the eleventh O site, O(11) is bonded in a T-shaped geometry to one Mg(1), one W(2), and one Ir(1) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one W(1) and one Ir(1) atom. is represented by the CIF file [CIF]
data_MgIr2(WO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.185
_cell_length_b   5.366
_cell_length_c   7.506
_cell_angle_alpha   90.134
_cell_angle_beta   90.096
_cell_angle_gamma   89.980
_symmetry_Int_Tables_number   1
_cell_volume   208.853
_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
  Mg  Mg0  1  0.519  0.558  0.752  1.0
  Ir  Ir1  1  0.003  0.498  0.505  1.0
  Ir  Ir2  1  0.497  1.000  0.997  1.0
  W  W3  1  1.000  0.494  0.014  1.0
  W  W4  1  0.500  0.003  0.488  1.0
  O  O5  1  0.127  0.482  0.752  1.0
  O  O6  1  0.196  0.201  0.044  1.0
  O  O7  1  0.197  0.199  0.458  1.0
  O  O8  1  0.297  0.700  0.043  1.0
  O  O9  1  0.307  0.700  0.457  1.0
  O  O10  1  0.409  0.958  0.747  1.0
  O  O11  1  0.594  0.023  0.248  1.0
  O  O12  1  0.681  0.311  0.564  1.0
  O  O13  1  0.686  0.309  0.937  1.0
  O  O14  1  0.785  0.775  0.939  1.0
  O  O15  1  0.796  0.792  0.553  1.0
  O  O16  1  0.907  0.511  0.253  1.0
[/CIF]
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The structure described by MgIr2(WO6)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(4), and one O(9) atom to form WO6 octahedra that share corners with two equivalent Ir(1)O6 octahedra and corners with four equivalent Ir(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-41°. In the second W site, W(2) is bonded to one O(11), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form WO6 octahedra that share corners with two equivalent Ir(2)O6 octahedra and corners with four equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-42°. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to one O(1), one O(11), one O(12), one O(3), one O(5), and one O(8) atom to form IrO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-42°. In the second Ir site, Ir(2) is bonded to one O(10), one O(2), one O(4), one O(6), one O(7), and one O(9) atom to form IrO6 octahedra that share corners with two equivalent W(2)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-41°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one W(1), and one Ir(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one W(1) and one Ir(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one W(2) and one Ir(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Mg(1), one W(1), and one Ir(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1), one W(2), and one Ir(1) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Mg(1), one W(2), and one Ir(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one W(2) and one Ir(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mg(1), one W(2), and one Ir(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mg(1), one W(1), and one Ir(2) atom. In the tenth O site, O(10) is bonded in a T-shaped geometry to one Mg(1), one W(1), and one Ir(2) atom. In the eleventh O site, O(11) is bonded in a T-shaped geometry to one Mg(1), one W(2), and one Ir(1) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one W(1) and one Ir(1) atom. is represented by the CIF file [CIF]
data_MgIr2(WO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.185
_cell_length_b   5.366
_cell_length_c   7.506
_cell_angle_alpha   90.134
_cell_angle_beta   90.096
_cell_angle_gamma   89.980
_symmetry_Int_Tables_number   1
_cell_volume   208.853
_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
  Mg  Mg0  1  0.519  0.558  0.752  1.0
  Ir  Ir1  1  0.003  0.498  0.505  1.0
  Ir  Ir2  1  0.497  1.000  0.997  1.0
  W  W3  1  1.000  0.494  0.014  1.0
  W  W4  1  0.500  0.003  0.488  1.0
  O  O5  1  0.127  0.482  0.752  1.0
  O  O6  1  0.196  0.201  0.044  1.0
  O  O7  1  0.197  0.199  0.458  1.0
  O  O8  1  0.297  0.700  0.043  1.0
  O  O9  1  0.307  0.700  0.457  1.0
  O  O10  1  0.409  0.958  0.747  1.0
  O  O11  1  0.594  0.023  0.248  1.0
  O  O12  1  0.681  0.311  0.564  1.0
  O  O13  1  0.686  0.309  0.937  1.0
  O  O14  1  0.785  0.775  0.939  1.0
  O  O15  1  0.796  0.792  0.553  1.0
  O  O16  1  0.907  0.511  0.253  1.0
[/CIF]
.