The material structure described by Ba3Dy2MoO9 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Immm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent O(1), two equivalent O(2), four equivalent O(3), and four equivalent O(5) atoms to form BaO12 cuboctahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with ten equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Dy(1)O6 octahedra, faces with two equivalent Dy(2)O6 octahedra, faces with two equivalent Dy(3)O6 octahedra, and faces with two equivalent Mo(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to one O(1), two equivalent O(3), two equivalent O(5), three equivalent O(2), and four equivalent O(4) atoms to form BaO12 cuboctahedra that share corners with five equivalent Ba(1)O12 cuboctahedra, corners with seven equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra,  a faceface with one Dy(1)O6 octahedra,  a faceface with one Dy(3)O6 octahedra, faces with three equivalent Dy(2)O6 octahedra, and faces with three equivalent Mo(1)O6 octahedra. There are three inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to two equivalent O(1) and four equivalent O(5) atoms to form DyO6 octahedra that share corners with two equivalent Dy(3)O6 octahedra, corners with four equivalent Mo(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Dy site, Dy(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form DyO6 octahedra that share corners with two equivalent Dy(3)O6 octahedra, corners with four equivalent Mo(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third Dy site, Dy(3) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form DyO6 octahedra that share corners with two equivalent Dy(1)O6 octahedra, corners with four equivalent Dy(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. Mo(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form MoO6 octahedra that share corners with two equivalent Dy(1)O6 octahedra, corners with four equivalent Dy(2)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Dy(1), and one Dy(3) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Ba(1), three equivalent Ba(2), one Dy(2), and one Mo(1) atom. In the third O site, O(3) is bonded to two equivalent Ba(1), two equivalent Ba(2), one Dy(2), and one Dy(3) atom to form a mixture of distorted edge, face, and corner-sharing OBa4Dy2 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent Ba(2), one Dy(2), and one Mo(1) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Dy(1), and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3Dy2MoO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.100
_cell_length_b   8.649
_cell_length_c   10.573
_cell_angle_alpha   65.857
_cell_angle_beta   73.235
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   482.899
_cell_formula_units_Z   2
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  0.500  0.265  0.000  1.0
  Ba  Ba1  1  0.839  0.580  0.322  1.0
  Ba  Ba2  1  0.161  0.902  0.678  1.0
  Ba  Ba3  1  0.500  0.735  0.000  1.0
  Ba  Ba4  1  0.839  0.098  0.322  1.0
  Ba  Ba5  1  0.161  0.420  0.678  1.0
  Dy  Dy6  1  0.000  0.000  0.000  1.0
  Dy  Dy7  1  0.328  0.328  0.344  1.0
  Dy  Dy8  1  0.672  0.672  0.656  1.0
  Dy  Dy9  1  0.000  0.500  0.000  1.0
  Mo  Mo10  1  0.334  0.834  0.332  1.0
  Mo  Mo11  1  0.666  0.166  0.668  1.0
  O  O12  1  0.000  0.247  0.000  1.0
  O  O13  1  0.330  0.601  0.340  1.0
  O  O14  1  0.670  0.942  0.660  1.0
  O  O15  1  0.161  0.410  0.179  1.0
  O  O16  1  0.489  0.760  0.480  1.0
  O  O17  1  0.818  0.090  0.820  1.0
  O  O18  1  0.340  0.590  0.821  1.0
  O  O19  1  0.639  0.910  0.180  1.0
  O  O20  1  0.969  0.240  0.520  1.0
  O  O21  1  0.000  0.753  0.000  1.0
  O  O22  1  0.330  0.058  0.340  1.0
  O  O23  1  0.670  0.399  0.660  1.0
  O  O24  1  0.839  0.590  0.821  1.0
  O  O25  1  0.182  0.910  0.180  1.0
  O  O26  1  0.511  0.240  0.520  1.0
  O  O27  1  0.660  0.410  0.179  1.0
  O  O28  1  0.031  0.760  0.480  1.0
  O  O29  1  0.361  0.090  0.820  1.0
[/CIF]
.
The material structure described by Ba3Dy2MoO9 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Immm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent O(1), two equivalent O(2), four equivalent O(3), and four equivalent O(5) atoms to form BaO12 cuboctahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with ten equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Dy(1)O6 octahedra, faces with two equivalent Dy(2)O6 octahedra, faces with two equivalent Dy(3)O6 octahedra, and faces with two equivalent Mo(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to one O(1), two equivalent O(3), two equivalent O(5), three equivalent O(2), and four equivalent O(4) atoms to form BaO12 cuboctahedra that share corners with five equivalent Ba(1)O12 cuboctahedra, corners with seven equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra,  a faceface with one Dy(1)O6 octahedra,  a faceface with one Dy(3)O6 octahedra, faces with three equivalent Dy(2)O6 octahedra, and faces with three equivalent Mo(1)O6 octahedra. There are three inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to two equivalent O(1) and four equivalent O(5) atoms to form DyO6 octahedra that share corners with two equivalent Dy(3)O6 octahedra, corners with four equivalent Mo(1)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Dy site, Dy(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form DyO6 octahedra that share corners with two equivalent Dy(3)O6 octahedra, corners with four equivalent Mo(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third Dy site, Dy(3) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form DyO6 octahedra that share corners with two equivalent Dy(1)O6 octahedra, corners with four equivalent Dy(2)O6 octahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. Mo(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form MoO6 octahedra that share corners with two equivalent Dy(1)O6 octahedra, corners with four equivalent Dy(2)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Dy(1), and one Dy(3) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Ba(1), three equivalent Ba(2), one Dy(2), and one Mo(1) atom. In the third O site, O(3) is bonded to two equivalent Ba(1), two equivalent Ba(2), one Dy(2), and one Dy(3) atom to form a mixture of distorted edge, face, and corner-sharing OBa4Dy2 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent Ba(2), one Dy(2), and one Mo(1) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Dy(1), and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3Dy2MoO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.100
_cell_length_b   8.649
_cell_length_c   10.573
_cell_angle_alpha   65.857
_cell_angle_beta   73.235
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   482.899
_cell_formula_units_Z   2
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  0.500  0.265  0.000  1.0
  Ba  Ba1  1  0.839  0.580  0.322  1.0
  Ba  Ba2  1  0.161  0.902  0.678  1.0
  Ba  Ba3  1  0.500  0.735  0.000  1.0
  Ba  Ba4  1  0.839  0.098  0.322  1.0
  Ba  Ba5  1  0.161  0.420  0.678  1.0
  Dy  Dy6  1  0.000  0.000  0.000  1.0
  Dy  Dy7  1  0.328  0.328  0.344  1.0
  Dy  Dy8  1  0.672  0.672  0.656  1.0
  Dy  Dy9  1  0.000  0.500  0.000  1.0
  Mo  Mo10  1  0.334  0.834  0.332  1.0
  Mo  Mo11  1  0.666  0.166  0.668  1.0
  O  O12  1  0.000  0.247  0.000  1.0
  O  O13  1  0.330  0.601  0.340  1.0
  O  O14  1  0.670  0.942  0.660  1.0
  O  O15  1  0.161  0.410  0.179  1.0
  O  O16  1  0.489  0.760  0.480  1.0
  O  O17  1  0.818  0.090  0.820  1.0
  O  O18  1  0.340  0.590  0.821  1.0
  O  O19  1  0.639  0.910  0.180  1.0
  O  O20  1  0.969  0.240  0.520  1.0
  O  O21  1  0.000  0.753  0.000  1.0
  O  O22  1  0.330  0.058  0.340  1.0
  O  O23  1  0.670  0.399  0.660  1.0
  O  O24  1  0.839  0.590  0.821  1.0
  O  O25  1  0.182  0.910  0.180  1.0
  O  O26  1  0.511  0.240  0.520  1.0
  O  O27  1  0.660  0.410  0.179  1.0
  O  O28  1  0.031  0.760  0.480  1.0
  O  O29  1  0.361  0.090  0.820  1.0
[/CIF]
.