The structure described by MgCr2(IrO6)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(2), one O(3), one O(6), one O(8), and one O(9) atom. There are two inequivalent Cr sites. In the first Cr site, Cr(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 CrO6 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 36-43°. In the second Cr site, Cr(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 CrO6 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 36-43°. 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 Cr(1)O6 octahedra and corners with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-43°. 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 Cr(2)O6 octahedra and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-43°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Mg(1), one Cr(1), and one Ir(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Mg(1), one Cr(1), and one Ir(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mg(1), one Cr(2), and one Ir(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Cr(1) and one Ir(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(2) and one Ir(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Cr(2), and one Ir(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Cr(2) and one Ir(2) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Mg(1), one Cr(2), and one Ir(1) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Mg(1), one Cr(1), and one Ir(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Mg(1), one Cr(1), and one Ir(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Mg(1), one Cr(2), and one Ir(1) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Cr(1) and one Ir(1) atom. is represented by the CIF file [CIF]
data_MgCr2(IrO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.015
_cell_length_b   5.222
_cell_length_c   7.273
_cell_angle_alpha   89.946
_cell_angle_beta   89.714
_cell_angle_gamma   90.048
_symmetry_Int_Tables_number   1
_cell_volume   190.470
_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  0.978  0.072  0.750  1.0
  Cr  Cr1  1  0.997  0.511  0.004  1.0
  Cr  Cr2  1  0.497  0.997  0.496  1.0
  Ir  Ir3  1  0.003  0.502  0.493  1.0
  Ir  Ir4  1  0.494  0.001  0.008  1.0
  O  O5  1  0.111  0.462  0.747  1.0
  O  O6  1  0.181  0.189  0.055  1.0
  O  O7  1  0.184  0.191  0.441  1.0
  O  O8  1  0.319  0.696  0.063  1.0
  O  O9  1  0.317  0.686  0.440  1.0
  O  O10  1  0.369  0.972  0.750  1.0
  O  O11  1  0.615  0.028  0.250  1.0
  O  O12  1  0.699  0.300  0.563  1.0
  O  O13  1  0.688  0.297  0.936  1.0
  O  O14  1  0.821  0.825  0.939  1.0
  O  O15  1  0.827  0.816  0.562  1.0
  O  O16  1  0.876  0.531  0.254  1.0
[/CIF]
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The structure described by MgCr2(IrO6)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(2), one O(3), one O(6), one O(8), and one O(9) atom. There are two inequivalent Cr sites. In the first Cr site, Cr(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 CrO6 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 36-43°. In the second Cr site, Cr(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 CrO6 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 36-43°. 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 Cr(1)O6 octahedra and corners with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-43°. 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 Cr(2)O6 octahedra and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-43°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Mg(1), one Cr(1), and one Ir(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Mg(1), one Cr(1), and one Ir(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mg(1), one Cr(2), and one Ir(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Cr(1) and one Ir(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(2) and one Ir(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Cr(2), and one Ir(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Cr(2) and one Ir(2) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Mg(1), one Cr(2), and one Ir(1) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Mg(1), one Cr(1), and one Ir(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Mg(1), one Cr(1), and one Ir(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Mg(1), one Cr(2), and one Ir(1) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Cr(1) and one Ir(1) atom. is represented by the CIF file [CIF]
data_MgCr2(IrO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.015
_cell_length_b   5.222
_cell_length_c   7.273
_cell_angle_alpha   89.946
_cell_angle_beta   89.714
_cell_angle_gamma   90.048
_symmetry_Int_Tables_number   1
_cell_volume   190.470
_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  0.978  0.072  0.750  1.0
  Cr  Cr1  1  0.997  0.511  0.004  1.0
  Cr  Cr2  1  0.497  0.997  0.496  1.0
  Ir  Ir3  1  0.003  0.502  0.493  1.0
  Ir  Ir4  1  0.494  0.001  0.008  1.0
  O  O5  1  0.111  0.462  0.747  1.0
  O  O6  1  0.181  0.189  0.055  1.0
  O  O7  1  0.184  0.191  0.441  1.0
  O  O8  1  0.319  0.696  0.063  1.0
  O  O9  1  0.317  0.686  0.440  1.0
  O  O10  1  0.369  0.972  0.750  1.0
  O  O11  1  0.615  0.028  0.250  1.0
  O  O12  1  0.699  0.300  0.563  1.0
  O  O13  1  0.688  0.297  0.936  1.0
  O  O14  1  0.821  0.825  0.939  1.0
  O  O15  1  0.827  0.816  0.562  1.0
  O  O16  1  0.876  0.531  0.254  1.0
[/CIF]
.