The crystal structure described by LiSr2Pr2Fe2(RuO6)2 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(5), one O(8), and one O(9) atom. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 11-coordinate geometry to one O(10), one O(11), one O(12), one O(5), one O(6), one O(7), one O(8), two equivalent O(1), and two equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one O(11), one O(12), one O(3), one O(4), one O(5), one O(6), and one O(9) atom. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(6), one O(7), and one O(9) atom. In the second Pr site, Pr(2) is bonded in a 7-coordinate geometry to one O(11), one O(12), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. There are two inequivalent Ru sites. In the first Ru site, Ru(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 RuO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-26°. In the second Ru site, Ru(2) 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 RuO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-24°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) 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 FeO6 octahedra that share corners with two equivalent Ru(1)O6 octahedra and corners with four equivalent Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-26°. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(4), one O(5), one O(8), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Pr(1), one Ru(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Sr(1), one Pr(1), one Ru(2), and one Fe(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sr(2), one Pr(2), one Ru(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(2), one Pr(2), one Ru(2), and one Fe(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), one Sr(1), one Sr(2), one Pr(2), one Ru(1), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Pr(1), one Pr(2), one Ru(2), and one Fe(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sr(1), one Pr(1), one Ru(2), and one Fe(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal bipyramidal geometry to one Li(1), one Sr(1), one Pr(2), one Ru(1), and one Fe(2) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Li(1), one Sr(2), one Pr(1), one Ru(1), and one Fe(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Sr(1), one Pr(1), one Ru(2), and one Fe(1) atom. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Pr(1), one Pr(2), one Ru(2), and one Fe(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), one Pr(2), one Ru(1), and one Fe(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2LiPr2Fe2(RuO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.665
_cell_length_b   5.649
_cell_length_c   8.138
_cell_angle_alpha   90.433
_cell_angle_beta   92.321
_cell_angle_gamma   90.491
_symmetry_Int_Tables_number   1
_cell_volume   260.217
_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  0.472  0.491  0.760  1.0
  Sr  Sr1  1  0.991  0.011  0.247  1.0
  Li  Li2  1  0.182  0.960  0.571  1.0
  Pr  Pr3  1  0.925  0.019  0.822  1.0
  Pr  Pr4  1  0.476  0.493  0.253  1.0
  Fe  Fe5  1  0.990  0.509  0.014  1.0
  Fe  Fe6  1  0.562  0.005  0.490  1.0
  Ru  Ru7  1  0.029  0.504  0.500  1.0
  Ru  Ru8  1  0.483  0.995  0.002  1.0
  O  O9  1  0.003  0.421  0.737  1.0
  O  O10  1  0.481  0.046  0.740  1.0
  O  O11  1  0.029  0.570  0.255  1.0
  O  O12  1  0.525  0.922  0.249  1.0
  O  O13  1  0.248  0.225  0.445  1.0
  O  O14  1  0.743  0.250  0.033  1.0
  O  O15  1  0.720  0.727  0.976  1.0
  O  O16  1  0.343  0.697  0.507  1.0
  O  O17  1  0.866  0.837  0.548  1.0
  O  O18  1  0.210  0.766  0.961  1.0
  O  O19  1  0.240  0.257  0.035  1.0
  O  O20  1  0.731  0.306  0.453  1.0
[/CIF]
.
The crystal structure described by LiSr2Pr2Fe2(RuO6)2 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(5), one O(8), and one O(9) atom. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 11-coordinate geometry to one O(10), one O(11), one O(12), one O(5), one O(6), one O(7), one O(8), two equivalent O(1), and two equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one O(11), one O(12), one O(3), one O(4), one O(5), one O(6), and one O(9) atom. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(6), one O(7), and one O(9) atom. In the second Pr site, Pr(2) is bonded in a 7-coordinate geometry to one O(11), one O(12), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. There are two inequivalent Ru sites. In the first Ru site, Ru(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 RuO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-26°. In the second Ru site, Ru(2) 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 RuO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-24°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) 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 FeO6 octahedra that share corners with two equivalent Ru(1)O6 octahedra and corners with four equivalent Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-26°. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(4), one O(5), one O(8), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Pr(1), one Ru(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Sr(1), one Pr(1), one Ru(2), and one Fe(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sr(2), one Pr(2), one Ru(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(2), one Pr(2), one Ru(2), and one Fe(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), one Sr(1), one Sr(2), one Pr(2), one Ru(1), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Pr(1), one Pr(2), one Ru(2), and one Fe(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sr(1), one Pr(1), one Ru(2), and one Fe(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal bipyramidal geometry to one Li(1), one Sr(1), one Pr(2), one Ru(1), and one Fe(2) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Li(1), one Sr(2), one Pr(1), one Ru(1), and one Fe(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Sr(1), one Pr(1), one Ru(2), and one Fe(1) atom. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Pr(1), one Pr(2), one Ru(2), and one Fe(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), one Pr(2), one Ru(1), and one Fe(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2LiPr2Fe2(RuO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.665
_cell_length_b   5.649
_cell_length_c   8.138
_cell_angle_alpha   90.433
_cell_angle_beta   92.321
_cell_angle_gamma   90.491
_symmetry_Int_Tables_number   1
_cell_volume   260.217
_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  0.472  0.491  0.760  1.0
  Sr  Sr1  1  0.991  0.011  0.247  1.0
  Li  Li2  1  0.182  0.960  0.571  1.0
  Pr  Pr3  1  0.925  0.019  0.822  1.0
  Pr  Pr4  1  0.476  0.493  0.253  1.0
  Fe  Fe5  1  0.990  0.509  0.014  1.0
  Fe  Fe6  1  0.562  0.005  0.490  1.0
  Ru  Ru7  1  0.029  0.504  0.500  1.0
  Ru  Ru8  1  0.483  0.995  0.002  1.0
  O  O9  1  0.003  0.421  0.737  1.0
  O  O10  1  0.481  0.046  0.740  1.0
  O  O11  1  0.029  0.570  0.255  1.0
  O  O12  1  0.525  0.922  0.249  1.0
  O  O13  1  0.248  0.225  0.445  1.0
  O  O14  1  0.743  0.250  0.033  1.0
  O  O15  1  0.720  0.727  0.976  1.0
  O  O16  1  0.343  0.697  0.507  1.0
  O  O17  1  0.866  0.837  0.548  1.0
  O  O18  1  0.210  0.766  0.961  1.0
  O  O19  1  0.240  0.257  0.035  1.0
  O  O20  1  0.731  0.306  0.453  1.0
[/CIF]
.