The compound described by NaDyIrO4 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(6) and four equivalent O(7) atoms to form distorted NaO6 pentagonal pyramids that share corners with two equivalent Ir(1)O6 octahedra, corners with four equivalent Ir(2)O6 octahedra,  an edgeedge with one Ir(1)O6 octahedra, edges with two equivalent Ir(2)O6 octahedra, edges with two equivalent Dy(2)O7 pentagonal bipyramids, and faces with two equivalent Na(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 9-14°. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(2), one O(6), one O(7), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. In the second Dy site, Dy(2) is bonded to one O(1), two equivalent O(7), and four equivalent O(5) atoms to form distorted DyO7 pentagonal bipyramids that share corners with two equivalent Ir(1)O6 octahedra, edges with four equivalent Ir(2)O6 octahedra, edges with two equivalent Dy(2)O7 pentagonal bipyramids, and edges with two equivalent Na(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form IrO6 octahedra that share corners with two equivalent Dy(2)O7 pentagonal bipyramids, corners with two equivalent Na(1)O6 pentagonal pyramids, edges with two equivalent Ir(1)O6 octahedra, and  an edgeedge with one Na(1)O6 pentagonal pyramid. In the second Ir site, Ir(2) is bonded to one O(4), one O(5), two equivalent O(2), and two equivalent O(7) atoms to form IrO6 octahedra that share corners with two equivalent Na(1)O6 pentagonal pyramids, edges with two equivalent Ir(2)O6 octahedra, edges with two equivalent Dy(2)O7 pentagonal bipyramids, and  an edgeedge with one Na(1)O6 pentagonal pyramid. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Dy(2), two equivalent Dy(1), and two equivalent Ir(1) atoms to form distorted ODy3Ir2 trigonal bipyramids that share corners with two equivalent O(7)Na3DyIr2 octahedra, corners with two equivalent O(6)Na4Ir2 octahedra, corners with two equivalent O(1)Dy3Ir2 trigonal bipyramids, corners with four equivalent O(4)Na2Dy2Ir trigonal bipyramids,  an edgeedge with one O(6)Na4Ir2 octahedra, edges with four equivalent O(5)Dy4Ir trigonal bipyramids, and edges with four equivalent O(3)Na2Dy2Ir trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-38°. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Dy(1), and two equivalent Ir(2) atoms. In the third O site, O(3) is bonded to two equivalent Na(2), two equivalent Dy(1), and one Ir(1) atom to form distorted ONa2Dy2Ir trigonal bipyramids that share corners with two equivalent O(7)Na3DyIr2 octahedra,  a cornercorner with one O(3)Na2Dy2Ir trigonal bipyramid, corners with two equivalent O(5)Dy4Ir trigonal bipyramids, corners with four equivalent O(4)Na2Dy2Ir trigonal bipyramids, edges with two equivalent O(6)Na4Ir2 octahedra,  an edgeedge with one O(5)Dy4Ir trigonal bipyramid, edges with two equivalent O(1)Dy3Ir2 trigonal bipyramids, edges with two equivalent O(3)Na2Dy2Ir trigonal bipyramids, and edges with two equivalent O(4)Na2Dy2Ir trigonal bipyramids. The corner-sharing octahedral tilt angles are 52°. In the fourth O site, O(4) is bonded to two equivalent Na(2), two equivalent Dy(1), and one Ir(2) atom to form distorted ONa2Dy2Ir trigonal bipyramids that share corners with two equivalent O(6)Na4Ir2 octahedra, corners with two equivalent O(1)Dy3Ir2 trigonal bipyramids, corners with three equivalent O(5)Dy4Ir trigonal bipyramids, corners with four equivalent O(3)Na2Dy2Ir trigonal bipyramids, edges with two equivalent O(7)Na3DyIr2 octahedra,  an edgeedge with one O(5)Dy4Ir trigonal bipyramid, edges with two equivalent O(3)Na2Dy2Ir trigonal bipyramids, and edges with two equivalent O(4)Na2Dy2Ir trigonal bipyramids. The corner-sharing octahedral tilt angles are 52°. In the fifth O site, O(5) is bonded to two equivalent Dy(1), two equivalent Dy(2), and one Ir(2) atom to form distorted ODy4Ir trigonal bipyramids that share corners with two equivalent O(7)Na3DyIr2 octahedra, corners with two equivalent O(5)Dy4Ir trigonal bipyramids, corners with two equivalent O(3)Na2Dy2Ir trigonal bipyramids, corners with three equivalent O(4)Na2Dy2Ir trigonal bipyramids, edges with two equivalent O(7)Na3DyIr2 octahedra,  an edgeedge with one O(3)Na2Dy2Ir trigonal bipyramid,  an edgeedge with one O(4)Na2Dy2Ir trigonal bipyramid, edges with two equivalent O(1)Dy3Ir2 trigonal bipyramids, and edges with three equivalent O(5)Dy4Ir trigonal bipyramids. The corner-sharing octahedral tilt angles are 53°. In the sixth O site, O(6) is bonded to two equivalent Na(1), two equivalent Na(2), and two equivalent Ir(1) atoms to form ONa4Ir2 octahedra that share corners with four equivalent O(7)Na3DyIr2 octahedra, corners with two equivalent O(1)Dy3Ir2 trigonal bipyramids, corners with four equivalent O(4)Na2Dy2Ir trigonal bipyramids, edges with two equivalent O(6)Na4Ir2 octahedra,  an edgeedge with one O(1)Dy3Ir2 trigonal bipyramid, edges with four equivalent O(3)Na2Dy2Ir trigonal bipyramids, and faces with two equivalent O(7)Na3DyIr2 octahedra. The corner-sharing octahedral tilt angles are 37°. In the seventh O site, O(7) is bonded to one Na(2), two equivalent Na(1), one Dy(2), and two equivalent Ir(2) atoms to form ONa3DyIr2 octahedra that share corners with two equivalent O(7)Na3DyIr2 octahedra, corners with two equivalent O(6)Na4Ir2 octahedra,  a cornercorner with one O(1)Dy3Ir2 trigonal bipyramid, corners with two equivalent O(5)Dy4Ir trigonal bipyramids, corners with two equivalent O(3)Na2Dy2Ir trigonal bipyramids, edges with two equivalent O(7)Na3DyIr2 octahedra, edges with two equivalent O(5)Dy4Ir trigonal bipyramids, edges with two equivalent O(4)Na2Dy2Ir trigonal bipyramids,  a faceface with one O(7)Na3DyIr2 octahedra, and  a faceface with one O(6)Na4Ir2 octahedra. The corner-sharing octahedral tilt angles range from 37-58°. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaDyIrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.252
_cell_length_b   9.382
_cell_length_c   9.382
_cell_angle_alpha   61.762
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   252.153
_cell_formula_units_Z   3
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
  Na  Na0  1  0.000  0.021  0.979  1.0
  Na  Na1  1  0.500  0.301  0.000  1.0
  Na  Na2  1  0.500  1.000  0.699  1.0
  Dy  Dy3  1  0.500  0.315  0.342  1.0
  Dy  Dy4  1  0.500  0.658  0.685  1.0
  Dy  Dy5  1  0.500  0.702  0.298  1.0
  Ir  Ir6  1  0.000  0.333  0.667  1.0
  Ir  Ir7  1  0.000  0.673  0.003  1.0
  Ir  Ir8  1  0.000  0.997  0.327  1.0
  O  O9  1  0.500  0.462  0.538  1.0
  O  O10  1  0.500  0.546  1.000  1.0
  O  O11  1  0.500  0.000  0.454  1.0
  O  O12  1  0.000  0.465  0.785  1.0
  O  O13  1  0.000  0.784  0.759  1.0
  O  O14  1  0.000  0.743  0.451  1.0
  O  O15  1  0.000  0.215  0.535  1.0
  O  O16  1  0.000  0.241  0.216  1.0
  O  O17  1  0.000  0.549  0.257  1.0
  O  O18  1  0.500  0.202  0.798  1.0
  O  O19  1  0.500  0.807  0.014  1.0
  O  O20  1  0.500  0.986  0.193  1.0
[/CIF]
.
The compound described by NaDyIrO4 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(6) and four equivalent O(7) atoms to form distorted NaO6 pentagonal pyramids that share corners with two equivalent Ir(1)O6 octahedra, corners with four equivalent Ir(2)O6 octahedra,  an edgeedge with one Ir(1)O6 octahedra, edges with two equivalent Ir(2)O6 octahedra, edges with two equivalent Dy(2)O7 pentagonal bipyramids, and faces with two equivalent Na(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 9-14°. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(2), one O(6), one O(7), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. In the second Dy site, Dy(2) is bonded to one O(1), two equivalent O(7), and four equivalent O(5) atoms to form distorted DyO7 pentagonal bipyramids that share corners with two equivalent Ir(1)O6 octahedra, edges with four equivalent Ir(2)O6 octahedra, edges with two equivalent Dy(2)O7 pentagonal bipyramids, and edges with two equivalent Na(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 52°. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form IrO6 octahedra that share corners with two equivalent Dy(2)O7 pentagonal bipyramids, corners with two equivalent Na(1)O6 pentagonal pyramids, edges with two equivalent Ir(1)O6 octahedra, and  an edgeedge with one Na(1)O6 pentagonal pyramid. In the second Ir site, Ir(2) is bonded to one O(4), one O(5), two equivalent O(2), and two equivalent O(7) atoms to form IrO6 octahedra that share corners with two equivalent Na(1)O6 pentagonal pyramids, edges with two equivalent Ir(2)O6 octahedra, edges with two equivalent Dy(2)O7 pentagonal bipyramids, and  an edgeedge with one Na(1)O6 pentagonal pyramid. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Dy(2), two equivalent Dy(1), and two equivalent Ir(1) atoms to form distorted ODy3Ir2 trigonal bipyramids that share corners with two equivalent O(7)Na3DyIr2 octahedra, corners with two equivalent O(6)Na4Ir2 octahedra, corners with two equivalent O(1)Dy3Ir2 trigonal bipyramids, corners with four equivalent O(4)Na2Dy2Ir trigonal bipyramids,  an edgeedge with one O(6)Na4Ir2 octahedra, edges with four equivalent O(5)Dy4Ir trigonal bipyramids, and edges with four equivalent O(3)Na2Dy2Ir trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-38°. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Dy(1), and two equivalent Ir(2) atoms. In the third O site, O(3) is bonded to two equivalent Na(2), two equivalent Dy(1), and one Ir(1) atom to form distorted ONa2Dy2Ir trigonal bipyramids that share corners with two equivalent O(7)Na3DyIr2 octahedra,  a cornercorner with one O(3)Na2Dy2Ir trigonal bipyramid, corners with two equivalent O(5)Dy4Ir trigonal bipyramids, corners with four equivalent O(4)Na2Dy2Ir trigonal bipyramids, edges with two equivalent O(6)Na4Ir2 octahedra,  an edgeedge with one O(5)Dy4Ir trigonal bipyramid, edges with two equivalent O(1)Dy3Ir2 trigonal bipyramids, edges with two equivalent O(3)Na2Dy2Ir trigonal bipyramids, and edges with two equivalent O(4)Na2Dy2Ir trigonal bipyramids. The corner-sharing octahedral tilt angles are 52°. In the fourth O site, O(4) is bonded to two equivalent Na(2), two equivalent Dy(1), and one Ir(2) atom to form distorted ONa2Dy2Ir trigonal bipyramids that share corners with two equivalent O(6)Na4Ir2 octahedra, corners with two equivalent O(1)Dy3Ir2 trigonal bipyramids, corners with three equivalent O(5)Dy4Ir trigonal bipyramids, corners with four equivalent O(3)Na2Dy2Ir trigonal bipyramids, edges with two equivalent O(7)Na3DyIr2 octahedra,  an edgeedge with one O(5)Dy4Ir trigonal bipyramid, edges with two equivalent O(3)Na2Dy2Ir trigonal bipyramids, and edges with two equivalent O(4)Na2Dy2Ir trigonal bipyramids. The corner-sharing octahedral tilt angles are 52°. In the fifth O site, O(5) is bonded to two equivalent Dy(1), two equivalent Dy(2), and one Ir(2) atom to form distorted ODy4Ir trigonal bipyramids that share corners with two equivalent O(7)Na3DyIr2 octahedra, corners with two equivalent O(5)Dy4Ir trigonal bipyramids, corners with two equivalent O(3)Na2Dy2Ir trigonal bipyramids, corners with three equivalent O(4)Na2Dy2Ir trigonal bipyramids, edges with two equivalent O(7)Na3DyIr2 octahedra,  an edgeedge with one O(3)Na2Dy2Ir trigonal bipyramid,  an edgeedge with one O(4)Na2Dy2Ir trigonal bipyramid, edges with two equivalent O(1)Dy3Ir2 trigonal bipyramids, and edges with three equivalent O(5)Dy4Ir trigonal bipyramids. The corner-sharing octahedral tilt angles are 53°. In the sixth O site, O(6) is bonded to two equivalent Na(1), two equivalent Na(2), and two equivalent Ir(1) atoms to form ONa4Ir2 octahedra that share corners with four equivalent O(7)Na3DyIr2 octahedra, corners with two equivalent O(1)Dy3Ir2 trigonal bipyramids, corners with four equivalent O(4)Na2Dy2Ir trigonal bipyramids, edges with two equivalent O(6)Na4Ir2 octahedra,  an edgeedge with one O(1)Dy3Ir2 trigonal bipyramid, edges with four equivalent O(3)Na2Dy2Ir trigonal bipyramids, and faces with two equivalent O(7)Na3DyIr2 octahedra. The corner-sharing octahedral tilt angles are 37°. In the seventh O site, O(7) is bonded to one Na(2), two equivalent Na(1), one Dy(2), and two equivalent Ir(2) atoms to form ONa3DyIr2 octahedra that share corners with two equivalent O(7)Na3DyIr2 octahedra, corners with two equivalent O(6)Na4Ir2 octahedra,  a cornercorner with one O(1)Dy3Ir2 trigonal bipyramid, corners with two equivalent O(5)Dy4Ir trigonal bipyramids, corners with two equivalent O(3)Na2Dy2Ir trigonal bipyramids, edges with two equivalent O(7)Na3DyIr2 octahedra, edges with two equivalent O(5)Dy4Ir trigonal bipyramids, edges with two equivalent O(4)Na2Dy2Ir trigonal bipyramids,  a faceface with one O(7)Na3DyIr2 octahedra, and  a faceface with one O(6)Na4Ir2 octahedra. The corner-sharing octahedral tilt angles range from 37-58°. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaDyIrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.252
_cell_length_b   9.382
_cell_length_c   9.382
_cell_angle_alpha   61.762
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   252.153
_cell_formula_units_Z   3
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
  Na  Na0  1  0.000  0.021  0.979  1.0
  Na  Na1  1  0.500  0.301  0.000  1.0
  Na  Na2  1  0.500  1.000  0.699  1.0
  Dy  Dy3  1  0.500  0.315  0.342  1.0
  Dy  Dy4  1  0.500  0.658  0.685  1.0
  Dy  Dy5  1  0.500  0.702  0.298  1.0
  Ir  Ir6  1  0.000  0.333  0.667  1.0
  Ir  Ir7  1  0.000  0.673  0.003  1.0
  Ir  Ir8  1  0.000  0.997  0.327  1.0
  O  O9  1  0.500  0.462  0.538  1.0
  O  O10  1  0.500  0.546  1.000  1.0
  O  O11  1  0.500  0.000  0.454  1.0
  O  O12  1  0.000  0.465  0.785  1.0
  O  O13  1  0.000  0.784  0.759  1.0
  O  O14  1  0.000  0.743  0.451  1.0
  O  O15  1  0.000  0.215  0.535  1.0
  O  O16  1  0.000  0.241  0.216  1.0
  O  O17  1  0.000  0.549  0.257  1.0
  O  O18  1  0.500  0.202  0.798  1.0
  O  O19  1  0.500  0.807  0.014  1.0
  O  O20  1  0.500  0.986  0.193  1.0
[/CIF]
.