The structure described by LiBa2HoRuO6 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a 3-coordinate geometry to one Ba(2), one Ru(1), one O(3), and two equivalent O(2) atoms. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent O(3), two equivalent O(4), four equivalent O(1), and four equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra and faces with four equivalent Ho(1)O6 octahedra. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one Li(1), one O(3), two equivalent O(2), two equivalent O(4), and four equivalent O(1) atoms. Ho(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form HoO6 octahedra that share faces with four equivalent Ba(1)O12 cuboctahedra. Ru(1) is bonded in a 7-coordinate geometry to one Li(1), one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Ho(1), and one Ru(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), one Ba(2), two equivalent Ba(1), one Ho(1), and one Ru(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one Ba(2), two equivalent Ba(1), one Ho(1), and one Ru(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Ho(1), and one Ru(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2LiHoRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.324
_cell_length_b   6.324
_cell_length_c   6.322
_cell_angle_alpha   55.465
_cell_angle_beta   55.465
_cell_angle_gamma   55.489
_symmetry_Int_Tables_number   1
_cell_volume   160.006
_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  0.747  0.747  0.748  1.0
  Ba  Ba1  1  0.288  0.288  0.287  1.0
  Li  Li2  1  0.126  0.126  0.131  1.0
  Ho  Ho3  1  0.503  0.503  0.504  1.0
  Ru  Ru4  1  0.987  0.987  0.988  1.0
  O  O5  1  0.236  0.759  0.757  1.0
  O  O6  1  0.234  0.753  0.236  1.0
  O  O7  1  0.759  0.236  0.757  1.0
  O  O8  1  0.234  0.234  0.756  1.0
  O  O9  1  0.753  0.234  0.236  1.0
  O  O10  1  0.758  0.758  0.235  1.0
[/CIF]
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The structure described by LiBa2HoRuO6 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a 3-coordinate geometry to one Ba(2), one Ru(1), one O(3), and two equivalent O(2) atoms. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent O(3), two equivalent O(4), four equivalent O(1), and four equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra and faces with four equivalent Ho(1)O6 octahedra. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one Li(1), one O(3), two equivalent O(2), two equivalent O(4), and four equivalent O(1) atoms. Ho(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form HoO6 octahedra that share faces with four equivalent Ba(1)O12 cuboctahedra. Ru(1) is bonded in a 7-coordinate geometry to one Li(1), one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Ho(1), and one Ru(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), one Ba(2), two equivalent Ba(1), one Ho(1), and one Ru(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one Ba(2), two equivalent Ba(1), one Ho(1), and one Ru(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Ho(1), and one Ru(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2LiHoRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.324
_cell_length_b   6.324
_cell_length_c   6.322
_cell_angle_alpha   55.465
_cell_angle_beta   55.465
_cell_angle_gamma   55.489
_symmetry_Int_Tables_number   1
_cell_volume   160.006
_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  0.747  0.747  0.748  1.0
  Ba  Ba1  1  0.288  0.288  0.287  1.0
  Li  Li2  1  0.126  0.126  0.131  1.0
  Ho  Ho3  1  0.503  0.503  0.504  1.0
  Ru  Ru4  1  0.987  0.987  0.988  1.0
  O  O5  1  0.236  0.759  0.757  1.0
  O  O6  1  0.234  0.753  0.236  1.0
  O  O7  1  0.759  0.236  0.757  1.0
  O  O8  1  0.234  0.234  0.756  1.0
  O  O9  1  0.753  0.234  0.236  1.0
  O  O10  1  0.758  0.758  0.235  1.0
[/CIF]
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