The compound described by Ba5Ho8Zn4O21 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 Ho sites. In the first Ho site, Ho(1) is bonded to one O(4), two equivalent O(1), and four equivalent O(2) atoms to form distorted HoO7 pentagonal bipyramids that share  a cornercorner with one Ho(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 Ho(1)O7 pentagonal bipyramids. In the second Ho site, Ho(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 Ho(1)O7 pentagonal bipyramids and edges with two equivalent Ho(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 Ho(1), two equivalent Ho(2), and one Zn(1) atom. In the second O site, O(2) is bonded to one Ba(1), one Ba(2), one Ho(2), two equivalent Ho(1), and one Zn(1) atom to form distorted OBa2Ho3Zn octahedra that share  a cornercorner with one O(4)Ba2Ho4 octahedra, corners with three equivalent O(3)Ba4HoZn octahedra, corners with six equivalent O(2)Ba2Ho3Zn octahedra, edges with two equivalent O(2)Ba2Ho3Zn octahedra,  a faceface with one O(4)Ba2Ho4 octahedra,  a faceface with one O(3)Ba4HoZn octahedra, and faces with two equivalent O(2)Ba2Ho3Zn 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 Ho(2), and one Zn(1) atom to form distorted OBa4HoZn octahedra that share corners with two equivalent O(3)Ba4HoZn octahedra, corners with six equivalent O(2)Ba2Ho3Zn octahedra, edges with five equivalent O(3)Ba4HoZn octahedra, and faces with two equivalent O(2)Ba2Ho3Zn 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 Ho(1) atoms to form OBa2Ho4 octahedra that share corners with two equivalent O(4)Ba2Ho4 octahedra, corners with eight equivalent O(2)Ba2Ho3Zn octahedra, and faces with eight equivalent O(2)Ba2Ho3Zn octahedra. The corner-sharing octahedral tilt angles range from 0-61°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba5Ho8Zn4O21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.209
_cell_length_b   10.209
_cell_length_c   10.209
_cell_angle_alpha   94.532
_cell_angle_beta   94.532
_cell_angle_gamma   147.347
_symmetry_Int_Tables_number   1
_cell_volume   550.958
_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  0.535  0.860  0.396  1.0
  Ba  Ba1  1  0.860  0.465  0.325  1.0
  Ba  Ba2  1  0.140  0.535  0.675  1.0
  Ba  Ba3  1  0.465  0.140  0.604  1.0
  Ba  Ba4  1  0.000  0.000  0.000  1.0
  Ho  Ho5  1  0.411  0.642  0.053  1.0
  Ho  Ho6  1  0.642  0.589  0.231  1.0
  Ho  Ho7  1  0.358  0.411  0.769  1.0
  Ho  Ho8  1  0.589  0.358  0.947  1.0
  Ho  Ho9  1  0.247  0.832  0.079  1.0
  Ho  Ho10  1  0.832  0.753  0.585  1.0
  Ho  Ho11  1  0.168  0.247  0.415  1.0
  Ho  Ho12  1  0.753  0.168  0.921  1.0
  Zn  Zn13  1  0.041  0.750  0.790  1.0
  Zn  Zn14  1  0.750  0.959  0.709  1.0
  Zn  Zn15  1  0.250  0.041  0.291  1.0
  Zn  Zn16  1  0.959  0.250  0.210  1.0
  O  O17  1  0.900  0.494  0.891  1.0
  O  O18  1  0.494  0.603  0.594  1.0
  O  O19  1  0.009  0.900  0.406  1.0
  O  O20  1  0.603  0.009  0.109  1.0
  O  O21  1  0.100  0.506  0.109  1.0
  O  O22  1  0.506  0.397  0.406  1.0
  O  O23  1  0.991  0.100  0.594  1.0
  O  O24  1  0.397  0.991  0.891  1.0
  O  O25  1  0.073  0.299  0.871  1.0
  O  O26  1  0.299  0.428  0.226  1.0
  O  O27  1  0.202  0.073  0.774  1.0
  O  O28  1  0.428  0.202  0.129  1.0
  O  O29  1  0.927  0.701  0.129  1.0
  O  O30  1  0.701  0.572  0.774  1.0
  O  O31  1  0.798  0.927  0.226  1.0
  O  O32  1  0.572  0.798  0.871  1.0
  O  O33  1  0.628  0.038  0.667  1.0
  O  O34  1  0.500  0.500  0.000  1.0
  O  O35  1  0.372  0.962  0.333  1.0
  O  O36  1  0.962  0.628  0.590  1.0
  O  O37  1  0.038  0.372  0.410  1.0
[/CIF]
.
The compound described by Ba5Ho8Zn4O21 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 Ho sites. In the first Ho site, Ho(1) is bonded to one O(4), two equivalent O(1), and four equivalent O(2) atoms to form distorted HoO7 pentagonal bipyramids that share  a cornercorner with one Ho(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 Ho(1)O7 pentagonal bipyramids. In the second Ho site, Ho(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 Ho(1)O7 pentagonal bipyramids and edges with two equivalent Ho(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 Ho(1), two equivalent Ho(2), and one Zn(1) atom. In the second O site, O(2) is bonded to one Ba(1), one Ba(2), one Ho(2), two equivalent Ho(1), and one Zn(1) atom to form distorted OBa2Ho3Zn octahedra that share  a cornercorner with one O(4)Ba2Ho4 octahedra, corners with three equivalent O(3)Ba4HoZn octahedra, corners with six equivalent O(2)Ba2Ho3Zn octahedra, edges with two equivalent O(2)Ba2Ho3Zn octahedra,  a faceface with one O(4)Ba2Ho4 octahedra,  a faceface with one O(3)Ba4HoZn octahedra, and faces with two equivalent O(2)Ba2Ho3Zn 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 Ho(2), and one Zn(1) atom to form distorted OBa4HoZn octahedra that share corners with two equivalent O(3)Ba4HoZn octahedra, corners with six equivalent O(2)Ba2Ho3Zn octahedra, edges with five equivalent O(3)Ba4HoZn octahedra, and faces with two equivalent O(2)Ba2Ho3Zn 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 Ho(1) atoms to form OBa2Ho4 octahedra that share corners with two equivalent O(4)Ba2Ho4 octahedra, corners with eight equivalent O(2)Ba2Ho3Zn octahedra, and faces with eight equivalent O(2)Ba2Ho3Zn octahedra. The corner-sharing octahedral tilt angles range from 0-61°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba5Ho8Zn4O21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.209
_cell_length_b   10.209
_cell_length_c   10.209
_cell_angle_alpha   94.532
_cell_angle_beta   94.532
_cell_angle_gamma   147.347
_symmetry_Int_Tables_number   1
_cell_volume   550.958
_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  0.535  0.860  0.396  1.0
  Ba  Ba1  1  0.860  0.465  0.325  1.0
  Ba  Ba2  1  0.140  0.535  0.675  1.0
  Ba  Ba3  1  0.465  0.140  0.604  1.0
  Ba  Ba4  1  0.000  0.000  0.000  1.0
  Ho  Ho5  1  0.411  0.642  0.053  1.0
  Ho  Ho6  1  0.642  0.589  0.231  1.0
  Ho  Ho7  1  0.358  0.411  0.769  1.0
  Ho  Ho8  1  0.589  0.358  0.947  1.0
  Ho  Ho9  1  0.247  0.832  0.079  1.0
  Ho  Ho10  1  0.832  0.753  0.585  1.0
  Ho  Ho11  1  0.168  0.247  0.415  1.0
  Ho  Ho12  1  0.753  0.168  0.921  1.0
  Zn  Zn13  1  0.041  0.750  0.790  1.0
  Zn  Zn14  1  0.750  0.959  0.709  1.0
  Zn  Zn15  1  0.250  0.041  0.291  1.0
  Zn  Zn16  1  0.959  0.250  0.210  1.0
  O  O17  1  0.900  0.494  0.891  1.0
  O  O18  1  0.494  0.603  0.594  1.0
  O  O19  1  0.009  0.900  0.406  1.0
  O  O20  1  0.603  0.009  0.109  1.0
  O  O21  1  0.100  0.506  0.109  1.0
  O  O22  1  0.506  0.397  0.406  1.0
  O  O23  1  0.991  0.100  0.594  1.0
  O  O24  1  0.397  0.991  0.891  1.0
  O  O25  1  0.073  0.299  0.871  1.0
  O  O26  1  0.299  0.428  0.226  1.0
  O  O27  1  0.202  0.073  0.774  1.0
  O  O28  1  0.428  0.202  0.129  1.0
  O  O29  1  0.927  0.701  0.129  1.0
  O  O30  1  0.701  0.572  0.774  1.0
  O  O31  1  0.798  0.927  0.226  1.0
  O  O32  1  0.572  0.798  0.871  1.0
  O  O33  1  0.628  0.038  0.667  1.0
  O  O34  1  0.500  0.500  0.000  1.0
  O  O35  1  0.372  0.962  0.333  1.0
  O  O36  1  0.962  0.628  0.590  1.0
  O  O37  1  0.038  0.372  0.410  1.0
[/CIF]
.