The material described by Sr2MgLa2(RuO4)3 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 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(1), one O(10), one O(11), one O(5), one O(7), one O(8), one O(9), and two equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(10), one O(11), one O(12), one O(4), one O(5), one O(6), one O(8), and two equivalent O(3) atoms. Mg(1) is bonded to one O(1), one O(12), one O(3), one O(5), one O(8), and one O(9) atom to form MgO6 octahedra that share corners with two equivalent Ru(2)O6 octahedra and corners with four equivalent Ru(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-28°. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(7), one O(8), and one O(9) atom. In the second La site, La(2) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(3), one O(4), one O(5), and one O(6) atom. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(10), one O(11), one O(2), one O(4), one O(6), and one O(7) atom to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles range from 23-28°. In the second Ru site, Ru(2) is bonded to one O(1), one O(10), one O(11), one O(3), one O(6), and one O(7) atom to form RuO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-28°. In the third Ru site, Ru(3) is bonded to one O(12), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form RuO6 octahedra that share corners with two equivalent Ru(1)O6 octahedra and corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-28°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one Mg(1), one La(1), and one Ru(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one La(1), one Ru(1), and one Ru(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(2), one Mg(1), one La(2), and one Ru(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(2), one La(2), one Ru(1), and one Ru(3) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), one La(2), and one Ru(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sr(2), one La(2), one Ru(1), and one Ru(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sr(1), one La(1), one Ru(1), and one Ru(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), one La(1), and one Ru(3) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Sr(1), one Mg(1), one La(1), and one Ru(3) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one La(1), one Ru(1), and one Ru(2) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one La(2), one Ru(1), and one Ru(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Sr(2), one Mg(1), one La(2), and one Ru(3) atom. is represented by the CIF card [CIF]
data_Sr2La2Mg(RuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.640
_cell_length_b   5.654
_cell_length_c   7.920
_cell_angle_alpha   89.975
_cell_angle_beta   89.859
_cell_angle_gamma   89.985
_symmetry_Int_Tables_number   1
_cell_volume   252.557
_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  0.475  0.496  0.244  1.0
  Sr  Sr1  1  0.026  0.991  0.756  1.0
  La  La2  1  0.969  0.016  0.240  1.0
  La  La3  1  0.528  0.510  0.759  1.0
  Mg  Mg4  1  0.498  0.000  1.000  1.0
  Ru  Ru5  1  0.001  0.501  0.501  1.0
  Ru  Ru6  1  0.501  0.001  0.499  1.0
  Ru  Ru7  1  0.000  0.499  0.999  1.0
  O  O8  1  0.518  0.933  0.257  1.0
  O  O9  1  0.009  0.588  0.249  1.0
  O  O10  1  0.490  0.086  0.743  1.0
  O  O11  1  0.985  0.425  0.750  1.0
  O  O12  1  0.276  0.715  0.957  1.0
  O  O13  1  0.769  0.770  0.549  1.0
  O  O14  1  0.731  0.272  0.452  1.0
  O  O15  1  0.218  0.225  0.042  1.0
  O  O16  1  0.735  0.271  0.040  1.0
  O  O17  1  0.219  0.219  0.452  1.0
  O  O18  1  0.283  0.718  0.548  1.0
  O  O19  1  0.770  0.763  0.962  1.0
[/CIF]
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The material described by Sr2MgLa2(RuO4)3 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 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(1), one O(10), one O(11), one O(5), one O(7), one O(8), one O(9), and two equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(10), one O(11), one O(12), one O(4), one O(5), one O(6), one O(8), and two equivalent O(3) atoms. Mg(1) is bonded to one O(1), one O(12), one O(3), one O(5), one O(8), and one O(9) atom to form MgO6 octahedra that share corners with two equivalent Ru(2)O6 octahedra and corners with four equivalent Ru(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-28°. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(7), one O(8), and one O(9) atom. In the second La site, La(2) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(3), one O(4), one O(5), and one O(6) atom. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(10), one O(11), one O(2), one O(4), one O(6), and one O(7) atom to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles range from 23-28°. In the second Ru site, Ru(2) is bonded to one O(1), one O(10), one O(11), one O(3), one O(6), and one O(7) atom to form RuO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-28°. In the third Ru site, Ru(3) is bonded to one O(12), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form RuO6 octahedra that share corners with two equivalent Ru(1)O6 octahedra and corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-28°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one Mg(1), one La(1), and one Ru(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one La(1), one Ru(1), and one Ru(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(2), one Mg(1), one La(2), and one Ru(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(2), one La(2), one Ru(1), and one Ru(3) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), one La(2), and one Ru(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sr(2), one La(2), one Ru(1), and one Ru(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sr(1), one La(1), one Ru(1), and one Ru(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), one La(1), and one Ru(3) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Sr(1), one Mg(1), one La(1), and one Ru(3) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one La(1), one Ru(1), and one Ru(2) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one La(2), one Ru(1), and one Ru(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Sr(2), one Mg(1), one La(2), and one Ru(3) atom. is represented by the CIF card [CIF]
data_Sr2La2Mg(RuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.640
_cell_length_b   5.654
_cell_length_c   7.920
_cell_angle_alpha   89.975
_cell_angle_beta   89.859
_cell_angle_gamma   89.985
_symmetry_Int_Tables_number   1
_cell_volume   252.557
_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  0.475  0.496  0.244  1.0
  Sr  Sr1  1  0.026  0.991  0.756  1.0
  La  La2  1  0.969  0.016  0.240  1.0
  La  La3  1  0.528  0.510  0.759  1.0
  Mg  Mg4  1  0.498  0.000  1.000  1.0
  Ru  Ru5  1  0.001  0.501  0.501  1.0
  Ru  Ru6  1  0.501  0.001  0.499  1.0
  Ru  Ru7  1  0.000  0.499  0.999  1.0
  O  O8  1  0.518  0.933  0.257  1.0
  O  O9  1  0.009  0.588  0.249  1.0
  O  O10  1  0.490  0.086  0.743  1.0
  O  O11  1  0.985  0.425  0.750  1.0
  O  O12  1  0.276  0.715  0.957  1.0
  O  O13  1  0.769  0.770  0.549  1.0
  O  O14  1  0.731  0.272  0.452  1.0
  O  O15  1  0.218  0.225  0.042  1.0
  O  O16  1  0.735  0.271  0.040  1.0
  O  O17  1  0.219  0.219  0.452  1.0
  O  O18  1  0.283  0.718  0.548  1.0
  O  O19  1  0.770  0.763  0.962  1.0
[/CIF]
.