The material described by Sr2HoRuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Ho(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form HoO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-25°. Ru(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form RuO6 octahedra that share corners with six equivalent Ho(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-25°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Ho(1), and one Ru(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Ho(1), and one Ru(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Ho(1), and one Ru(1) atom. is represented by the CIF card [CIF]
data_Sr2HoRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.863
_cell_length_b   5.805
_cell_length_c   10.043
_cell_angle_alpha   55.055
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   280.193
_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
  Sr  Sr0  1  0.036  0.241  0.751  1.0
  Sr  Sr1  1  0.536  0.759  0.749  1.0
  Sr  Sr2  1  0.464  0.241  0.251  1.0
  Sr  Sr3  1  0.964  0.759  0.249  1.0
  Ho  Ho4  1  0.500  0.500  0.500  1.0
  Ho  Ho5  1  0.000  0.500  0.000  1.0
  Ru  Ru6  1  0.000  0.000  0.500  1.0
  Ru  Ru7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.019  0.309  0.265  1.0
  O  O9  1  0.519  0.691  0.235  1.0
  O  O10  1  0.981  0.691  0.735  1.0
  O  O11  1  0.481  0.309  0.765  1.0
  O  O12  1  0.728  0.842  0.460  1.0
  O  O13  1  0.228  0.158  0.040  1.0
  O  O14  1  0.272  0.158  0.540  1.0
  O  O15  1  0.772  0.842  0.960  1.0
  O  O16  1  0.299  0.768  0.962  1.0
  O  O17  1  0.799  0.232  0.538  1.0
  O  O18  1  0.701  0.232  0.038  1.0
  O  O19  1  0.201  0.768  0.462  1.0
[/CIF]
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The material described by Sr2HoRuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Ho(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form HoO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-25°. Ru(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form RuO6 octahedra that share corners with six equivalent Ho(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-25°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Ho(1), and one Ru(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Ho(1), and one Ru(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Ho(1), and one Ru(1) atom. is represented by the CIF card [CIF]
data_Sr2HoRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.863
_cell_length_b   5.805
_cell_length_c   10.043
_cell_angle_alpha   55.055
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   280.193
_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
  Sr  Sr0  1  0.036  0.241  0.751  1.0
  Sr  Sr1  1  0.536  0.759  0.749  1.0
  Sr  Sr2  1  0.464  0.241  0.251  1.0
  Sr  Sr3  1  0.964  0.759  0.249  1.0
  Ho  Ho4  1  0.500  0.500  0.500  1.0
  Ho  Ho5  1  0.000  0.500  0.000  1.0
  Ru  Ru6  1  0.000  0.000  0.500  1.0
  Ru  Ru7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.019  0.309  0.265  1.0
  O  O9  1  0.519  0.691  0.235  1.0
  O  O10  1  0.981  0.691  0.735  1.0
  O  O11  1  0.481  0.309  0.765  1.0
  O  O12  1  0.728  0.842  0.460  1.0
  O  O13  1  0.228  0.158  0.040  1.0
  O  O14  1  0.272  0.158  0.540  1.0
  O  O15  1  0.772  0.842  0.960  1.0
  O  O16  1  0.299  0.768  0.962  1.0
  O  O17  1  0.799  0.232  0.538  1.0
  O  O18  1  0.701  0.232  0.038  1.0
  O  O19  1  0.201  0.768  0.462  1.0
[/CIF]
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