The compound described by SrLaMnRuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the trigonal R3 space group. Sr(1) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. La(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-28°. Ru(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form RuO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-28°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one La(1), one Mn(1), and one Ru(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sr(1), two equivalent La(1), one Mn(1), and one Ru(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrLaMnRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.637
_cell_length_b   5.637
_cell_length_c   5.637
_cell_angle_alpha   61.178
_cell_angle_beta   61.178
_cell_angle_gamma   61.178
_symmetry_Int_Tables_number   1
_cell_volume   129.985
_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  0.246  0.246  0.246  1.0
  La  La1  1  0.747  0.747  0.747  1.0
  Mn  Mn2  1  0.497  0.497  0.497  1.0
  Ru  Ru3  1  0.998  0.998  0.998  1.0
  O  O4  1  0.767  0.326  0.157  1.0
  O  O5  1  0.157  0.767  0.326  1.0
  O  O6  1  0.326  0.157  0.767  1.0
  O  O7  1  0.692  0.826  0.243  1.0
  O  O8  1  0.826  0.243  0.692  1.0
  O  O9  1  0.243  0.692  0.826  1.0
[/CIF]
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The compound described by SrLaMnRuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the trigonal R3 space group. Sr(1) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. La(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-28°. Ru(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form RuO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-28°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one La(1), one Mn(1), and one Ru(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sr(1), two equivalent La(1), one Mn(1), and one Ru(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrLaMnRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.637
_cell_length_b   5.637
_cell_length_c   5.637
_cell_angle_alpha   61.178
_cell_angle_beta   61.178
_cell_angle_gamma   61.178
_symmetry_Int_Tables_number   1
_cell_volume   129.985
_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  0.246  0.246  0.246  1.0
  La  La1  1  0.747  0.747  0.747  1.0
  Mn  Mn2  1  0.497  0.497  0.497  1.0
  Ru  Ru3  1  0.998  0.998  0.998  1.0
  O  O4  1  0.767  0.326  0.157  1.0
  O  O5  1  0.157  0.767  0.326  1.0
  O  O6  1  0.326  0.157  0.767  1.0
  O  O7  1  0.692  0.826  0.243  1.0
  O  O8  1  0.826  0.243  0.692  1.0
  O  O9  1  0.243  0.692  0.826  1.0
[/CIF]
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