The structure described by Ba5Dy8Zn4O21 crystallizes in the tetragonal I4/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a distorted q6 geometry to two equivalent O(4) and eight equivalent O(2) atoms. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to one O(4), two equivalent O(1), and four equivalent O(2) atoms to form distorted DyO7 pentagonal bipyramids that share  a cornercorner with one Dy(1)O7 pentagonal bipyramid, corners with two equivalent Zn(1)O5 trigonal bipyramids, edges with two equivalent Zn(1)O5 trigonal bipyramids, and faces with two equivalent Dy(1)O7 pentagonal bipyramids. In the second Dy site, Dy(2) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(2), and four equivalent O(1) atoms. Zn(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted ZnO5 trigonal bipyramids that share corners with two equivalent Dy(1)O7 pentagonal bipyramids and edges with two equivalent Dy(1)O7 pentagonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Dy(1), two equivalent Dy(2), and one Zn(1) atom. In the second O site, O(2) is bonded to one Ba(1), one Ba(2), one Dy(2), two equivalent Dy(1), and one Zn(1) atom to form distorted OBa2Dy3Zn octahedra that share  a cornercorner with one O(4)Ba2Dy4 octahedra, corners with three equivalent O(3)Ba4DyZn octahedra, corners with six equivalent O(2)Ba2Dy3Zn octahedra, edges with two equivalent O(2)Ba2Dy3Zn octahedra,  a faceface with one O(4)Ba2Dy4 octahedra,  a faceface with one O(3)Ba4DyZn octahedra, and faces with two equivalent O(2)Ba2Dy3Zn octahedra. The corner-sharing octahedral tilt angles range from 0-76°. In the third O site, O(3) is bonded to four equivalent Ba(1), one Dy(2), and one Zn(1) atom to form distorted OBa4DyZn octahedra that share corners with two equivalent O(3)Ba4DyZn octahedra, corners with six equivalent O(2)Ba2Dy3Zn octahedra, edges with five equivalent O(3)Ba4DyZn octahedra, and faces with two equivalent O(2)Ba2Dy3Zn octahedra. The corner-sharing octahedral tilt angles range from 6-59°. In the fourth O site, O(4) is bonded to two equivalent Ba(2) and four equivalent Dy(1) atoms to form OBa2Dy4 octahedra that share corners with two equivalent O(4)Ba2Dy4 octahedra, corners with eight equivalent O(2)Ba2Dy3Zn octahedra, and faces with eight equivalent O(2)Ba2Dy3Zn octahedra. The corner-sharing octahedral tilt angles range from 0-61°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba5Dy8Zn4O21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.244
_cell_length_b   10.244
_cell_length_c   10.244
_cell_angle_alpha   94.530
_cell_angle_beta   94.530
_cell_angle_gamma   147.355
_symmetry_Int_Tables_number   1
_cell_volume   556.537
_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  0.465  0.861  0.326  1.0
  Ba  Ba1  1  0.139  0.465  0.604  1.0
  Ba  Ba2  1  0.861  0.535  0.396  1.0
  Ba  Ba3  1  0.535  0.139  0.674  1.0
  Ba  Ba4  1  0.000  0.000  0.000  1.0
  Dy  Dy5  1  0.589  0.642  0.231  1.0
  Dy  Dy6  1  0.358  0.589  0.946  1.0
  Dy  Dy7  1  0.642  0.411  0.054  1.0
  Dy  Dy8  1  0.411  0.358  0.769  1.0
  Dy  Dy9  1  0.753  0.832  0.585  1.0
  Dy  Dy10  1  0.168  0.753  0.921  1.0
  Dy  Dy11  1  0.832  0.247  0.079  1.0
  Dy  Dy12  1  0.247  0.168  0.415  1.0
  Zn  Zn13  1  0.959  0.749  0.709  1.0
  Zn  Zn14  1  0.251  0.959  0.210  1.0
  Zn  Zn15  1  0.749  0.041  0.790  1.0
  Zn  Zn16  1  0.041  0.251  0.291  1.0
  O  O17  1  0.100  0.990  0.594  1.0
  O  O18  1  0.505  0.100  0.109  1.0
  O  O19  1  0.990  0.396  0.891  1.0
  O  O20  1  0.396  0.505  0.406  1.0
  O  O21  1  0.900  0.010  0.406  1.0
  O  O22  1  0.495  0.900  0.891  1.0
  O  O23  1  0.010  0.604  0.109  1.0
  O  O24  1  0.604  0.495  0.594  1.0
  O  O25  1  0.928  0.798  0.226  1.0
  O  O26  1  0.702  0.928  0.130  1.0
  O  O27  1  0.798  0.572  0.870  1.0
  O  O28  1  0.572  0.702  0.774  1.0
  O  O29  1  0.072  0.202  0.774  1.0
  O  O30  1  0.298  0.072  0.870  1.0
  O  O31  1  0.202  0.428  0.130  1.0
  O  O32  1  0.428  0.298  0.226  1.0
  O  O33  1  0.372  0.037  0.409  1.0
  O  O34  1  0.500  0.500  0.000  1.0
  O  O35  1  0.628  0.963  0.591  1.0
  O  O36  1  0.037  0.628  0.665  1.0
  O  O37  1  0.963  0.372  0.335  1.0
[/CIF]
.
The structure described by Ba5Dy8Zn4O21 crystallizes in the tetragonal I4/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a distorted q6 geometry to two equivalent O(4) and eight equivalent O(2) atoms. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to one O(4), two equivalent O(1), and four equivalent O(2) atoms to form distorted DyO7 pentagonal bipyramids that share  a cornercorner with one Dy(1)O7 pentagonal bipyramid, corners with two equivalent Zn(1)O5 trigonal bipyramids, edges with two equivalent Zn(1)O5 trigonal bipyramids, and faces with two equivalent Dy(1)O7 pentagonal bipyramids. In the second Dy site, Dy(2) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(2), and four equivalent O(1) atoms. Zn(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted ZnO5 trigonal bipyramids that share corners with two equivalent Dy(1)O7 pentagonal bipyramids and edges with two equivalent Dy(1)O7 pentagonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Dy(1), two equivalent Dy(2), and one Zn(1) atom. In the second O site, O(2) is bonded to one Ba(1), one Ba(2), one Dy(2), two equivalent Dy(1), and one Zn(1) atom to form distorted OBa2Dy3Zn octahedra that share  a cornercorner with one O(4)Ba2Dy4 octahedra, corners with three equivalent O(3)Ba4DyZn octahedra, corners with six equivalent O(2)Ba2Dy3Zn octahedra, edges with two equivalent O(2)Ba2Dy3Zn octahedra,  a faceface with one O(4)Ba2Dy4 octahedra,  a faceface with one O(3)Ba4DyZn octahedra, and faces with two equivalent O(2)Ba2Dy3Zn octahedra. The corner-sharing octahedral tilt angles range from 0-76°. In the third O site, O(3) is bonded to four equivalent Ba(1), one Dy(2), and one Zn(1) atom to form distorted OBa4DyZn octahedra that share corners with two equivalent O(3)Ba4DyZn octahedra, corners with six equivalent O(2)Ba2Dy3Zn octahedra, edges with five equivalent O(3)Ba4DyZn octahedra, and faces with two equivalent O(2)Ba2Dy3Zn octahedra. The corner-sharing octahedral tilt angles range from 6-59°. In the fourth O site, O(4) is bonded to two equivalent Ba(2) and four equivalent Dy(1) atoms to form OBa2Dy4 octahedra that share corners with two equivalent O(4)Ba2Dy4 octahedra, corners with eight equivalent O(2)Ba2Dy3Zn octahedra, and faces with eight equivalent O(2)Ba2Dy3Zn octahedra. The corner-sharing octahedral tilt angles range from 0-61°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba5Dy8Zn4O21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.244
_cell_length_b   10.244
_cell_length_c   10.244
_cell_angle_alpha   94.530
_cell_angle_beta   94.530
_cell_angle_gamma   147.355
_symmetry_Int_Tables_number   1
_cell_volume   556.537
_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  0.465  0.861  0.326  1.0
  Ba  Ba1  1  0.139  0.465  0.604  1.0
  Ba  Ba2  1  0.861  0.535  0.396  1.0
  Ba  Ba3  1  0.535  0.139  0.674  1.0
  Ba  Ba4  1  0.000  0.000  0.000  1.0
  Dy  Dy5  1  0.589  0.642  0.231  1.0
  Dy  Dy6  1  0.358  0.589  0.946  1.0
  Dy  Dy7  1  0.642  0.411  0.054  1.0
  Dy  Dy8  1  0.411  0.358  0.769  1.0
  Dy  Dy9  1  0.753  0.832  0.585  1.0
  Dy  Dy10  1  0.168  0.753  0.921  1.0
  Dy  Dy11  1  0.832  0.247  0.079  1.0
  Dy  Dy12  1  0.247  0.168  0.415  1.0
  Zn  Zn13  1  0.959  0.749  0.709  1.0
  Zn  Zn14  1  0.251  0.959  0.210  1.0
  Zn  Zn15  1  0.749  0.041  0.790  1.0
  Zn  Zn16  1  0.041  0.251  0.291  1.0
  O  O17  1  0.100  0.990  0.594  1.0
  O  O18  1  0.505  0.100  0.109  1.0
  O  O19  1  0.990  0.396  0.891  1.0
  O  O20  1  0.396  0.505  0.406  1.0
  O  O21  1  0.900  0.010  0.406  1.0
  O  O22  1  0.495  0.900  0.891  1.0
  O  O23  1  0.010  0.604  0.109  1.0
  O  O24  1  0.604  0.495  0.594  1.0
  O  O25  1  0.928  0.798  0.226  1.0
  O  O26  1  0.702  0.928  0.130  1.0
  O  O27  1  0.798  0.572  0.870  1.0
  O  O28  1  0.572  0.702  0.774  1.0
  O  O29  1  0.072  0.202  0.774  1.0
  O  O30  1  0.298  0.072  0.870  1.0
  O  O31  1  0.202  0.428  0.130  1.0
  O  O32  1  0.428  0.298  0.226  1.0
  O  O33  1  0.372  0.037  0.409  1.0
  O  O34  1  0.500  0.500  0.000  1.0
  O  O35  1  0.628  0.963  0.591  1.0
  O  O36  1  0.037  0.628  0.665  1.0
  O  O37  1  0.963  0.372  0.335  1.0
[/CIF]
.