The material structure described by Ba3Ho4O9 is Orthorhombic Perovskite-like structured and crystallizes in the trigonal R3 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. In the third Ba site, Ba(3) is bonded in a 3-coordinate geometry to three equivalent O(3) atoms. There are four inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the second Ho site, Ho(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form corner-sharing HoO6 octahedra. The corner-sharing octahedral tilt angles are 18°. In the third Ho site, Ho(3) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the fourth Ho site, Ho(4) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form corner-sharing HoO6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one Ho(1), one Ho(3), and one Ho(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(2), one Ho(1), one Ho(2), and one Ho(3) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Ho(2), and one Ho(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3Ho4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.136
_cell_length_b   9.136
_cell_length_c   9.136
_cell_angle_alpha   38.864
_cell_angle_beta   38.864
_cell_angle_gamma   38.864
_symmetry_Int_Tables_number   1
_cell_volume   269.928
_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  0.001  0.001  0.001  1.0
  Ba  Ba1  1  0.837  0.837  0.837  1.0
  Ba  Ba2  1  0.423  0.423  0.423  1.0
  Ho  Ho3  1  0.575  0.575  0.575  1.0
  Ho  Ho4  1  0.136  0.136  0.136  1.0
  Ho  Ho5  1  0.262  0.262  0.262  1.0
  Ho  Ho6  1  0.700  0.700  0.700  1.0
  O  O7  1  0.960  0.539  0.423  1.0
  O  O8  1  0.539  0.423  0.960  1.0
  O  O9  1  0.423  0.960  0.539  1.0
  O  O10  1  0.873  0.403  0.308  1.0
  O  O11  1  0.403  0.308  0.873  1.0
  O  O12  1  0.308  0.873  0.403  1.0
  O  O13  1  0.862  0.973  0.420  1.0
  O  O14  1  0.420  0.862  0.973  1.0
  O  O15  1  0.973  0.420  0.862  1.0
[/CIF]
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The material structure described by Ba3Ho4O9 is Orthorhombic Perovskite-like structured and crystallizes in the trigonal R3 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. In the third Ba site, Ba(3) is bonded in a 3-coordinate geometry to three equivalent O(3) atoms. There are four inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the second Ho site, Ho(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form corner-sharing HoO6 octahedra. The corner-sharing octahedral tilt angles are 18°. In the third Ho site, Ho(3) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the fourth Ho site, Ho(4) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form corner-sharing HoO6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one Ho(1), one Ho(3), and one Ho(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(2), one Ho(1), one Ho(2), and one Ho(3) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Ho(2), and one Ho(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3Ho4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.136
_cell_length_b   9.136
_cell_length_c   9.136
_cell_angle_alpha   38.864
_cell_angle_beta   38.864
_cell_angle_gamma   38.864
_symmetry_Int_Tables_number   1
_cell_volume   269.928
_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  0.001  0.001  0.001  1.0
  Ba  Ba1  1  0.837  0.837  0.837  1.0
  Ba  Ba2  1  0.423  0.423  0.423  1.0
  Ho  Ho3  1  0.575  0.575  0.575  1.0
  Ho  Ho4  1  0.136  0.136  0.136  1.0
  Ho  Ho5  1  0.262  0.262  0.262  1.0
  Ho  Ho6  1  0.700  0.700  0.700  1.0
  O  O7  1  0.960  0.539  0.423  1.0
  O  O8  1  0.539  0.423  0.960  1.0
  O  O9  1  0.423  0.960  0.539  1.0
  O  O10  1  0.873  0.403  0.308  1.0
  O  O11  1  0.403  0.308  0.873  1.0
  O  O12  1  0.308  0.873  0.403  1.0
  O  O13  1  0.862  0.973  0.420  1.0
  O  O14  1  0.420  0.862  0.973  1.0
  O  O15  1  0.973  0.420  0.862  1.0
[/CIF]
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