The material described by Sr4MgLa2(RuO6)2 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to four equivalent O(2) and five equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(5), four equivalent O(2), and four equivalent O(3) atoms. Mg(1) is bonded to two equivalent O(5) and four equivalent O(1) atoms to form corner-sharing MgO6 octahedra. The corner-sharing octahedra are not tilted. La(1) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(1), and four equivalent O(5) atoms. Ru(1) is bonded to one O(3), one O(4), and four equivalent O(2) atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and four equivalent La(1) atoms to form distorted OLa4Mg2 octahedra that share corners with two equivalent O(1)La4Mg2 octahedra, corners with four equivalent O(3)Sr4LaRu octahedra, corners with eight equivalent O(5)SrLa4Mg octahedra, edges with two equivalent O(1)La4Mg2 octahedra, faces with four equivalent O(1)La4Mg2 octahedra, and faces with four equivalent O(5)SrLa4Mg octahedra. The corner-sharing octahedral tilt angles range from 0-51°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ru(1) atoms to form distorted OSr4Ru2 octahedra that share corners with two equivalent O(2)Sr4Ru2 octahedra, corners with two equivalent O(5)SrLa4Mg octahedra, corners with four equivalent O(3)Sr4LaRu octahedra, corners with six equivalent O(4)Sr5Ru octahedra, edges with two equivalent O(2)Sr4Ru2 octahedra, faces with two equivalent O(3)Sr4LaRu octahedra, faces with two equivalent O(4)Sr5Ru octahedra, and faces with four equivalent O(2)Sr4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 1-56°. In the third O site, O(3) is bonded to four equivalent Sr(2), one La(1), and one Ru(1) atom to form OSr4LaRu octahedra that share  a cornercorner with one O(4)Sr5Ru octahedra, corners with four equivalent O(1)La4Mg2 octahedra, corners with four equivalent O(3)Sr4LaRu octahedra, corners with eight equivalent O(2)Sr4Ru2 octahedra, edges with four equivalent O(3)Sr4LaRu octahedra, edges with four equivalent O(5)SrLa4Mg octahedra, and faces with four equivalent O(2)Sr4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the fourth O site, O(4) is bonded to five equivalent Sr(1) and one Ru(1) atom to form OSr5Ru octahedra that share  a cornercorner with one O(3)Sr4LaRu octahedra, corners with four equivalent O(4)Sr5Ru octahedra, corners with twelve equivalent O(2)Sr4Ru2 octahedra, edges with eight equivalent O(4)Sr5Ru octahedra, and faces with four equivalent O(2)Sr4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. In the fifth O site, O(5) is bonded to one Sr(2), one Mg(1), and four equivalent La(1) atoms to form distorted OSrLa4Mg octahedra that share corners with four equivalent O(2)Sr4Ru2 octahedra, corners with five equivalent O(5)SrLa4Mg octahedra, corners with eight equivalent O(1)La4Mg2 octahedra, edges with four equivalent O(3)Sr4LaRu octahedra, edges with four equivalent O(5)SrLa4Mg octahedra, and faces with four equivalent O(1)La4Mg2 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. is represented by the CIF file [CIF]
data_Sr4La2Mg(RuO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.373
_cell_length_b   19.373
_cell_length_c   19.373
_cell_angle_alpha   168.430
_cell_angle_beta   168.430
_cell_angle_gamma   16.391
_symmetry_Int_Tables_number   1
_cell_volume   292.487
_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  0.216  0.216  0.000  1.0
  Sr  Sr1  1  0.882  0.882  0.000  1.0
  Sr  Sr2  1  0.118  0.118  0.000  1.0
  Sr  Sr3  1  0.784  0.784  0.000  1.0
  La  La4  1  0.546  0.546  0.000  1.0
  La  La5  1  0.454  0.454  0.000  1.0
  Mg  Mg6  1  0.000  0.000  0.000  1.0
  Ru  Ru7  1  0.666  0.666  0.000  1.0
  Ru  Ru8  1  0.334  0.334  0.000  1.0
  O  O9  1  0.000  0.500  0.500  1.0
  O  O10  1  0.667  0.167  0.500  1.0
  O  O11  1  0.333  0.833  0.500  1.0
  O  O12  1  0.500  0.000  0.500  1.0
  O  O13  1  0.167  0.667  0.500  1.0
  O  O14  1  0.833  0.333  0.500  1.0
  O  O15  1  0.611  0.611  0.000  1.0
  O  O16  1  0.279  0.279  0.000  1.0
  O  O17  1  0.943  0.943  0.000  1.0
  O  O18  1  0.057  0.057  0.000  1.0
  O  O19  1  0.721  0.721  0.000  1.0
  O  O20  1  0.389  0.389  0.000  1.0
[/CIF]
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The material described by Sr4MgLa2(RuO6)2 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to four equivalent O(2) and five equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(5), four equivalent O(2), and four equivalent O(3) atoms. Mg(1) is bonded to two equivalent O(5) and four equivalent O(1) atoms to form corner-sharing MgO6 octahedra. The corner-sharing octahedra are not tilted. La(1) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(1), and four equivalent O(5) atoms. Ru(1) is bonded to one O(3), one O(4), and four equivalent O(2) atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and four equivalent La(1) atoms to form distorted OLa4Mg2 octahedra that share corners with two equivalent O(1)La4Mg2 octahedra, corners with four equivalent O(3)Sr4LaRu octahedra, corners with eight equivalent O(5)SrLa4Mg octahedra, edges with two equivalent O(1)La4Mg2 octahedra, faces with four equivalent O(1)La4Mg2 octahedra, and faces with four equivalent O(5)SrLa4Mg octahedra. The corner-sharing octahedral tilt angles range from 0-51°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ru(1) atoms to form distorted OSr4Ru2 octahedra that share corners with two equivalent O(2)Sr4Ru2 octahedra, corners with two equivalent O(5)SrLa4Mg octahedra, corners with four equivalent O(3)Sr4LaRu octahedra, corners with six equivalent O(4)Sr5Ru octahedra, edges with two equivalent O(2)Sr4Ru2 octahedra, faces with two equivalent O(3)Sr4LaRu octahedra, faces with two equivalent O(4)Sr5Ru octahedra, and faces with four equivalent O(2)Sr4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 1-56°. In the third O site, O(3) is bonded to four equivalent Sr(2), one La(1), and one Ru(1) atom to form OSr4LaRu octahedra that share  a cornercorner with one O(4)Sr5Ru octahedra, corners with four equivalent O(1)La4Mg2 octahedra, corners with four equivalent O(3)Sr4LaRu octahedra, corners with eight equivalent O(2)Sr4Ru2 octahedra, edges with four equivalent O(3)Sr4LaRu octahedra, edges with four equivalent O(5)SrLa4Mg octahedra, and faces with four equivalent O(2)Sr4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the fourth O site, O(4) is bonded to five equivalent Sr(1) and one Ru(1) atom to form OSr5Ru octahedra that share  a cornercorner with one O(3)Sr4LaRu octahedra, corners with four equivalent O(4)Sr5Ru octahedra, corners with twelve equivalent O(2)Sr4Ru2 octahedra, edges with eight equivalent O(4)Sr5Ru octahedra, and faces with four equivalent O(2)Sr4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. In the fifth O site, O(5) is bonded to one Sr(2), one Mg(1), and four equivalent La(1) atoms to form distorted OSrLa4Mg octahedra that share corners with four equivalent O(2)Sr4Ru2 octahedra, corners with five equivalent O(5)SrLa4Mg octahedra, corners with eight equivalent O(1)La4Mg2 octahedra, edges with four equivalent O(3)Sr4LaRu octahedra, edges with four equivalent O(5)SrLa4Mg octahedra, and faces with four equivalent O(1)La4Mg2 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. is represented by the CIF file [CIF]
data_Sr4La2Mg(RuO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.373
_cell_length_b   19.373
_cell_length_c   19.373
_cell_angle_alpha   168.430
_cell_angle_beta   168.430
_cell_angle_gamma   16.391
_symmetry_Int_Tables_number   1
_cell_volume   292.487
_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  0.216  0.216  0.000  1.0
  Sr  Sr1  1  0.882  0.882  0.000  1.0
  Sr  Sr2  1  0.118  0.118  0.000  1.0
  Sr  Sr3  1  0.784  0.784  0.000  1.0
  La  La4  1  0.546  0.546  0.000  1.0
  La  La5  1  0.454  0.454  0.000  1.0
  Mg  Mg6  1  0.000  0.000  0.000  1.0
  Ru  Ru7  1  0.666  0.666  0.000  1.0
  Ru  Ru8  1  0.334  0.334  0.000  1.0
  O  O9  1  0.000  0.500  0.500  1.0
  O  O10  1  0.667  0.167  0.500  1.0
  O  O11  1  0.333  0.833  0.500  1.0
  O  O12  1  0.500  0.000  0.500  1.0
  O  O13  1  0.167  0.667  0.500  1.0
  O  O14  1  0.833  0.333  0.500  1.0
  O  O15  1  0.611  0.611  0.000  1.0
  O  O16  1  0.279  0.279  0.000  1.0
  O  O17  1  0.943  0.943  0.000  1.0
  O  O18  1  0.057  0.057  0.000  1.0
  O  O19  1  0.721  0.721  0.000  1.0
  O  O20  1  0.389  0.389  0.000  1.0
[/CIF]
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