The crystal structure described by Sr2MnRuO6 crystallizes in the tetragonal I4/m space group. Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-21°. Ru(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form RuO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-21°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Mn(1), and one Ru(1) atom. In the second O site, O(2) is bonded to four equivalent Sr(1), one Mn(1), and one Ru(1) atom to form a mixture of distorted corner and edge-sharing OSr4MnRu octahedra. The corner-sharing octahedral tilt angles range from 0-6°. is represented by the CIF card [CIF]
data_Sr2MnRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.716
_cell_length_b   5.716
_cell_length_c   5.716
_cell_angle_alpha   122.621
_cell_angle_beta   122.621
_cell_angle_gamma   85.518
_symmetry_Int_Tables_number   1
_cell_volume   126.379
_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
  Sr  Sr0  1  0.750  0.250  0.500  1.0
  Sr  Sr1  1  0.250  0.750  0.500  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  Ru  Ru3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.799  0.706  0.505  1.0
  O  O5  1  0.201  0.294  0.495  1.0
  O  O6  1  0.294  0.799  0.093  1.0
  O  O7  1  0.706  0.201  0.907  1.0
  O  O8  1  0.734  0.734  0.000  1.0
  O  O9  1  0.266  0.266  0.000  1.0
[/CIF]
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The crystal structure described by Sr2MnRuO6 crystallizes in the tetragonal I4/m space group. Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-21°. Ru(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form RuO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-21°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Mn(1), and one Ru(1) atom. In the second O site, O(2) is bonded to four equivalent Sr(1), one Mn(1), and one Ru(1) atom to form a mixture of distorted corner and edge-sharing OSr4MnRu octahedra. The corner-sharing octahedral tilt angles range from 0-6°. is represented by the CIF card [CIF]
data_Sr2MnRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.716
_cell_length_b   5.716
_cell_length_c   5.716
_cell_angle_alpha   122.621
_cell_angle_beta   122.621
_cell_angle_gamma   85.518
_symmetry_Int_Tables_number   1
_cell_volume   126.379
_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
  Sr  Sr0  1  0.750  0.250  0.500  1.0
  Sr  Sr1  1  0.250  0.750  0.500  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  Ru  Ru3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.799  0.706  0.505  1.0
  O  O5  1  0.201  0.294  0.495  1.0
  O  O6  1  0.294  0.799  0.093  1.0
  O  O7  1  0.706  0.201  0.907  1.0
  O  O8  1  0.734  0.734  0.000  1.0
  O  O9  1  0.266  0.266  0.000  1.0
[/CIF]
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