The material described by Sr4MnRuO8 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(2), and four equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(4), four equivalent O(1), and four equivalent O(3) atoms. Mn(1) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra are not tilted. Ru(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(2) and two equivalent Ru(1) atoms to form distorted OSr4Ru2 octahedra that share corners with two equivalent O(1)Sr4Ru2 octahedra, corners with four equivalent O(4)Sr5Mn octahedra, corners with eight equivalent O(3)Sr5Ru octahedra, edges with two equivalent O(1)Sr4Ru2 octahedra, faces with four equivalent O(1)Sr4Ru2 octahedra, and faces with four equivalent O(3)Sr5Ru octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Mn(1) atoms to form distorted OSr4Mn2 octahedra that share corners with two equivalent O(2)Sr4Mn2 octahedra, corners with four equivalent O(3)Sr5Ru octahedra, corners with eight equivalent O(4)Sr5Mn octahedra, edges with two equivalent O(2)Sr4Mn2 octahedra, faces with four equivalent O(2)Sr4Mn2 octahedra, and faces with four equivalent O(4)Sr5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the third O site, O(3) is bonded to one Sr(1), four equivalent Sr(2), and one Ru(1) atom to form OSr5Ru octahedra that share corners with four equivalent O(2)Sr4Mn2 octahedra, corners with five equivalent O(3)Sr5Ru octahedra, corners with eight equivalent O(1)Sr4Ru2 octahedra, edges with four equivalent O(4)Sr5Mn octahedra, edges with four equivalent O(3)Sr5Ru octahedra, and faces with four equivalent O(1)Sr4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the fourth O site, O(4) is bonded to one Sr(2), four equivalent Sr(1), and one Mn(1) atom to form distorted OSr5Mn octahedra that share corners with four equivalent O(1)Sr4Ru2 octahedra, corners with five equivalent O(4)Sr5Mn octahedra, corners with eight equivalent O(2)Sr4Mn2 octahedra, edges with four equivalent O(4)Sr5Mn octahedra, edges with four equivalent O(3)Sr5Ru octahedra, and faces with four equivalent O(2)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. is represented by the CIF card [CIF]
data_Sr4MnRuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.927
_cell_length_b   3.927
_cell_length_c   12.681
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   195.550
_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  0.500  0.500  0.138  1.0
  Sr  Sr1  1  0.000  0.000  0.652  1.0
  Sr  Sr2  1  0.000  0.000  0.348  1.0
  Sr  Sr3  1  0.500  0.500  0.862  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  Ru  Ru5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.500  0.000  0.500  1.0
  O  O7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.500  0.000  0.000  1.0
  O  O9  1  0.000  0.500  0.500  1.0
  O  O10  1  0.500  0.500  0.339  1.0
  O  O11  1  0.000  0.000  0.842  1.0
  O  O12  1  0.000  0.000  0.158  1.0
  O  O13  1  0.500  0.500  0.661  1.0
[/CIF]
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The material described by Sr4MnRuO8 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(2), and four equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(4), four equivalent O(1), and four equivalent O(3) atoms. Mn(1) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra are not tilted. Ru(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(2) and two equivalent Ru(1) atoms to form distorted OSr4Ru2 octahedra that share corners with two equivalent O(1)Sr4Ru2 octahedra, corners with four equivalent O(4)Sr5Mn octahedra, corners with eight equivalent O(3)Sr5Ru octahedra, edges with two equivalent O(1)Sr4Ru2 octahedra, faces with four equivalent O(1)Sr4Ru2 octahedra, and faces with four equivalent O(3)Sr5Ru octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Mn(1) atoms to form distorted OSr4Mn2 octahedra that share corners with two equivalent O(2)Sr4Mn2 octahedra, corners with four equivalent O(3)Sr5Ru octahedra, corners with eight equivalent O(4)Sr5Mn octahedra, edges with two equivalent O(2)Sr4Mn2 octahedra, faces with four equivalent O(2)Sr4Mn2 octahedra, and faces with four equivalent O(4)Sr5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the third O site, O(3) is bonded to one Sr(1), four equivalent Sr(2), and one Ru(1) atom to form OSr5Ru octahedra that share corners with four equivalent O(2)Sr4Mn2 octahedra, corners with five equivalent O(3)Sr5Ru octahedra, corners with eight equivalent O(1)Sr4Ru2 octahedra, edges with four equivalent O(4)Sr5Mn octahedra, edges with four equivalent O(3)Sr5Ru octahedra, and faces with four equivalent O(1)Sr4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the fourth O site, O(4) is bonded to one Sr(2), four equivalent Sr(1), and one Mn(1) atom to form distorted OSr5Mn octahedra that share corners with four equivalent O(1)Sr4Ru2 octahedra, corners with five equivalent O(4)Sr5Mn octahedra, corners with eight equivalent O(2)Sr4Mn2 octahedra, edges with four equivalent O(4)Sr5Mn octahedra, edges with four equivalent O(3)Sr5Ru octahedra, and faces with four equivalent O(2)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. is represented by the CIF card [CIF]
data_Sr4MnRuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.927
_cell_length_b   3.927
_cell_length_c   12.681
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   195.550
_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  0.500  0.500  0.138  1.0
  Sr  Sr1  1  0.000  0.000  0.652  1.0
  Sr  Sr2  1  0.000  0.000  0.348  1.0
  Sr  Sr3  1  0.500  0.500  0.862  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  Ru  Ru5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.500  0.000  0.500  1.0
  O  O7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.500  0.000  0.000  1.0
  O  O9  1  0.000  0.500  0.500  1.0
  O  O10  1  0.500  0.500  0.339  1.0
  O  O11  1  0.000  0.000  0.842  1.0
  O  O12  1  0.000  0.000  0.158  1.0
  O  O13  1  0.500  0.500  0.661  1.0
[/CIF]
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