The crystal structure described by Ba4Ho(RuO4)3 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(2) and nine equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ru(2)O6 octahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ho(1)O6 octahedra, and faces with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. In the second Ba site, Ba(2) is bonded to three equivalent O(1) and nine equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Ru(1)O6 octahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra,  a faceface with one Ho(1)O6 octahedra, faces with three equivalent Ru(1)O6 octahedra, and faces with three equivalent Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. Ho(1) is bonded to six equivalent O(1) atoms to form HoO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra, faces with two equivalent Ba(2)O12 cuboctahedra, and faces with six equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 2°. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form RuO6 octahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Ho(1)O6 octahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and  a faceface with one Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the second Ru site, Ru(2) is bonded to six equivalent O(2) atoms to form RuO6 octahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Ba(2)O12 cuboctahedra, and faces with two equivalent Ru(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(2), three equivalent Ba(1), one Ho(1), and one Ru(1) atom. In the second O site, O(2) is bonded to one Ba(1), three equivalent Ba(2), one Ru(1), and one Ru(2) atom to form a mixture of distorted face, corner, and edge-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba4Ho(RuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.394
_cell_length_b   10.394
_cell_length_c   10.394
_cell_angle_alpha   33.216
_cell_angle_beta   33.216
_cell_angle_gamma   33.216
_symmetry_Int_Tables_number   1
_cell_volume   300.011
_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  0.714  0.714  0.714  1.0
  Ba  Ba1  1  0.286  0.286  0.286  1.0
  Ba  Ba2  1  0.129  0.129  0.129  1.0
  Ba  Ba3  1  0.871  0.871  0.871  1.0
  Ho  Ho4  1  0.000  0.000  0.000  1.0
  Ru  Ru5  1  0.413  0.413  0.413  1.0
  Ru  Ru6  1  0.500  0.500  0.500  1.0
  Ru  Ru7  1  0.587  0.587  0.587  1.0
  O  O8  1  0.219  0.219  0.692  1.0
  O  O9  1  0.612  0.147  0.612  1.0
  O  O10  1  0.853  0.388  0.388  1.0
  O  O11  1  0.612  0.612  0.147  1.0
  O  O12  1  0.388  0.388  0.853  1.0
  O  O13  1  0.781  0.781  0.308  1.0
  O  O14  1  0.692  0.219  0.219  1.0
  O  O15  1  0.219  0.692  0.219  1.0
  O  O16  1  0.781  0.308  0.781  1.0
  O  O17  1  0.388  0.853  0.388  1.0
  O  O18  1  0.147  0.612  0.612  1.0
  O  O19  1  0.308  0.781  0.781  1.0
[/CIF]
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The crystal structure described by Ba4Ho(RuO4)3 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(2) and nine equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ru(2)O6 octahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ho(1)O6 octahedra, and faces with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. In the second Ba site, Ba(2) is bonded to three equivalent O(1) and nine equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Ru(1)O6 octahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra,  a faceface with one Ho(1)O6 octahedra, faces with three equivalent Ru(1)O6 octahedra, and faces with three equivalent Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. Ho(1) is bonded to six equivalent O(1) atoms to form HoO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra, faces with two equivalent Ba(2)O12 cuboctahedra, and faces with six equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 2°. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form RuO6 octahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Ho(1)O6 octahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and  a faceface with one Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the second Ru site, Ru(2) is bonded to six equivalent O(2) atoms to form RuO6 octahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Ba(2)O12 cuboctahedra, and faces with two equivalent Ru(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(2), three equivalent Ba(1), one Ho(1), and one Ru(1) atom. In the second O site, O(2) is bonded to one Ba(1), three equivalent Ba(2), one Ru(1), and one Ru(2) atom to form a mixture of distorted face, corner, and edge-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba4Ho(RuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.394
_cell_length_b   10.394
_cell_length_c   10.394
_cell_angle_alpha   33.216
_cell_angle_beta   33.216
_cell_angle_gamma   33.216
_symmetry_Int_Tables_number   1
_cell_volume   300.011
_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  0.714  0.714  0.714  1.0
  Ba  Ba1  1  0.286  0.286  0.286  1.0
  Ba  Ba2  1  0.129  0.129  0.129  1.0
  Ba  Ba3  1  0.871  0.871  0.871  1.0
  Ho  Ho4  1  0.000  0.000  0.000  1.0
  Ru  Ru5  1  0.413  0.413  0.413  1.0
  Ru  Ru6  1  0.500  0.500  0.500  1.0
  Ru  Ru7  1  0.587  0.587  0.587  1.0
  O  O8  1  0.219  0.219  0.692  1.0
  O  O9  1  0.612  0.147  0.612  1.0
  O  O10  1  0.853  0.388  0.388  1.0
  O  O11  1  0.612  0.612  0.147  1.0
  O  O12  1  0.388  0.388  0.853  1.0
  O  O13  1  0.781  0.781  0.308  1.0
  O  O14  1  0.692  0.219  0.219  1.0
  O  O15  1  0.219  0.692  0.219  1.0
  O  O16  1  0.781  0.308  0.781  1.0
  O  O17  1  0.388  0.853  0.388  1.0
  O  O18  1  0.147  0.612  0.612  1.0
  O  O19  1  0.308  0.781  0.781  1.0
[/CIF]
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