The crystal structure described by Ba5Ho2ZrAl2O13 crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(1) and nine equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Zr(1)O6 octahedra, faces with four equivalent Ho(1)O6 octahedra, and  a faceface with one Al(1)O4 tetrahedra. In the second Ba site, Ba(2) is bonded in a distorted q6 geometry to three equivalent O(2) and six equivalent O(1) atoms. In the third Ba site, Ba(3) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Ho(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form HoO6 octahedra that share corners with three equivalent Zr(1)O6 octahedra, corners with three equivalent Al(1)O4 tetrahedra, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Zr(1) is bonded to six equivalent O(2) atoms to form ZrO6 octahedra that share corners with six equivalent Ho(1)O6 octahedra and faces with six equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Al(1) is bonded to one O(3) and three equivalent O(1) atoms to form AlO4 tetrahedra that share corners with three equivalent Ho(1)O6 octahedra,  a cornercorner with one Al(1)O4 tetrahedra, and  a faceface with one Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 19°. There are three inequivalent O sites. In the first O site, O(2) is bonded to one Ba(2), three equivalent Ba(1), one Ho(1), and one Zr(1) atom to form a mixture of distorted corner, edge, and face-sharing OBa4HoZr octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the second O site, O(3) is bonded in a linear geometry to two equivalent Al(1) atoms. In the third O site, O(1) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(2), one Ho(1), and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba5Ho2ZrAl2O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.033
_cell_length_b   6.033
_cell_length_c   25.191
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   794.076
_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  0.333  0.667  0.542  1.0
  Ba  Ba1  1  0.667  0.333  0.458  1.0
  Ba  Ba2  1  0.667  0.333  0.042  1.0
  Ba  Ba3  1  0.333  0.667  0.958  1.0
  Ba  Ba4  1  0.000  0.000  0.138  1.0
  Ba  Ba5  1  0.000  0.000  0.862  1.0
  Ba  Ba6  1  0.000  0.000  0.638  1.0
  Ba  Ba7  1  0.000  0.000  0.362  1.0
  Ba  Ba8  1  0.333  0.667  0.250  1.0
  Ba  Ba9  1  0.667  0.333  0.750  1.0
  Ho  Ho10  1  0.333  0.667  0.104  1.0
  Ho  Ho11  1  0.667  0.333  0.896  1.0
  Ho  Ho12  1  0.667  0.333  0.604  1.0
  Ho  Ho13  1  0.333  0.667  0.396  1.0
  Zr  Zr14  1  0.000  0.000  0.000  1.0
  Zr  Zr15  1  0.000  0.000  0.500  1.0
  Al  Al16  1  0.333  0.667  0.681  1.0
  Al  Al17  1  0.667  0.333  0.319  1.0
  Al  Al18  1  0.667  0.333  0.181  1.0
  Al  Al19  1  0.333  0.667  0.819  1.0
  O  O20  1  0.505  0.011  0.158  1.0
  O  O21  1  0.495  0.989  0.842  1.0
  O  O22  1  0.989  0.495  0.158  1.0
  O  O23  1  0.495  0.989  0.658  1.0
  O  O24  1  0.011  0.505  0.842  1.0
  O  O25  1  0.505  0.011  0.342  1.0
  O  O26  1  0.505  0.495  0.158  1.0
  O  O27  1  0.011  0.505  0.658  1.0
  O  O28  1  0.495  0.505  0.842  1.0
  O  O29  1  0.989  0.495  0.342  1.0
  O  O30  1  0.495  0.505  0.658  1.0
  O  O31  1  0.505  0.495  0.342  1.0
  O  O32  1  0.162  0.324  0.051  1.0
  O  O33  1  0.838  0.676  0.949  1.0
  O  O34  1  0.676  0.838  0.051  1.0
  O  O35  1  0.838  0.676  0.551  1.0
  O  O36  1  0.324  0.162  0.949  1.0
  O  O37  1  0.162  0.324  0.449  1.0
  O  O38  1  0.162  0.838  0.051  1.0
  O  O39  1  0.324  0.162  0.551  1.0
  O  O40  1  0.838  0.162  0.949  1.0
  O  O41  1  0.676  0.838  0.449  1.0
  O  O42  1  0.838  0.162  0.551  1.0
  O  O43  1  0.162  0.838  0.449  1.0
  O  O44  1  0.333  0.667  0.750  1.0
  O  O45  1  0.667  0.333  0.250  1.0
[/CIF]
.
The crystal structure described by Ba5Ho2ZrAl2O13 crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(1) and nine equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Zr(1)O6 octahedra, faces with four equivalent Ho(1)O6 octahedra, and  a faceface with one Al(1)O4 tetrahedra. In the second Ba site, Ba(2) is bonded in a distorted q6 geometry to three equivalent O(2) and six equivalent O(1) atoms. In the third Ba site, Ba(3) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Ho(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form HoO6 octahedra that share corners with three equivalent Zr(1)O6 octahedra, corners with three equivalent Al(1)O4 tetrahedra, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Zr(1) is bonded to six equivalent O(2) atoms to form ZrO6 octahedra that share corners with six equivalent Ho(1)O6 octahedra and faces with six equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Al(1) is bonded to one O(3) and three equivalent O(1) atoms to form AlO4 tetrahedra that share corners with three equivalent Ho(1)O6 octahedra,  a cornercorner with one Al(1)O4 tetrahedra, and  a faceface with one Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 19°. There are three inequivalent O sites. In the first O site, O(2) is bonded to one Ba(2), three equivalent Ba(1), one Ho(1), and one Zr(1) atom to form a mixture of distorted corner, edge, and face-sharing OBa4HoZr octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the second O site, O(3) is bonded in a linear geometry to two equivalent Al(1) atoms. In the third O site, O(1) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(2), one Ho(1), and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba5Ho2ZrAl2O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.033
_cell_length_b   6.033
_cell_length_c   25.191
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   794.076
_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  0.333  0.667  0.542  1.0
  Ba  Ba1  1  0.667  0.333  0.458  1.0
  Ba  Ba2  1  0.667  0.333  0.042  1.0
  Ba  Ba3  1  0.333  0.667  0.958  1.0
  Ba  Ba4  1  0.000  0.000  0.138  1.0
  Ba  Ba5  1  0.000  0.000  0.862  1.0
  Ba  Ba6  1  0.000  0.000  0.638  1.0
  Ba  Ba7  1  0.000  0.000  0.362  1.0
  Ba  Ba8  1  0.333  0.667  0.250  1.0
  Ba  Ba9  1  0.667  0.333  0.750  1.0
  Ho  Ho10  1  0.333  0.667  0.104  1.0
  Ho  Ho11  1  0.667  0.333  0.896  1.0
  Ho  Ho12  1  0.667  0.333  0.604  1.0
  Ho  Ho13  1  0.333  0.667  0.396  1.0
  Zr  Zr14  1  0.000  0.000  0.000  1.0
  Zr  Zr15  1  0.000  0.000  0.500  1.0
  Al  Al16  1  0.333  0.667  0.681  1.0
  Al  Al17  1  0.667  0.333  0.319  1.0
  Al  Al18  1  0.667  0.333  0.181  1.0
  Al  Al19  1  0.333  0.667  0.819  1.0
  O  O20  1  0.505  0.011  0.158  1.0
  O  O21  1  0.495  0.989  0.842  1.0
  O  O22  1  0.989  0.495  0.158  1.0
  O  O23  1  0.495  0.989  0.658  1.0
  O  O24  1  0.011  0.505  0.842  1.0
  O  O25  1  0.505  0.011  0.342  1.0
  O  O26  1  0.505  0.495  0.158  1.0
  O  O27  1  0.011  0.505  0.658  1.0
  O  O28  1  0.495  0.505  0.842  1.0
  O  O29  1  0.989  0.495  0.342  1.0
  O  O30  1  0.495  0.505  0.658  1.0
  O  O31  1  0.505  0.495  0.342  1.0
  O  O32  1  0.162  0.324  0.051  1.0
  O  O33  1  0.838  0.676  0.949  1.0
  O  O34  1  0.676  0.838  0.051  1.0
  O  O35  1  0.838  0.676  0.551  1.0
  O  O36  1  0.324  0.162  0.949  1.0
  O  O37  1  0.162  0.324  0.449  1.0
  O  O38  1  0.162  0.838  0.051  1.0
  O  O39  1  0.324  0.162  0.551  1.0
  O  O40  1  0.838  0.162  0.949  1.0
  O  O41  1  0.676  0.838  0.449  1.0
  O  O42  1  0.838  0.162  0.551  1.0
  O  O43  1  0.162  0.838  0.449  1.0
  O  O44  1  0.333  0.667  0.750  1.0
  O  O45  1  0.667  0.333  0.250  1.0
[/CIF]
.