The crystal structure described by LiSr4Y2(RuO6)2 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted trigonal non-coplanar geometry to one Sr(2), one O(12), one O(4), and one O(6) atom. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(12), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to one Li(1), one O(10), one O(11), one O(12), one O(4), one O(5), one O(7), one O(9), and two equivalent O(3) atoms. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(5), one O(7), one O(8), and one O(9) atom. In the fourth Sr site, Sr(4) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(2), one O(6), one O(7), one O(8), and one O(9) atom. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(10), one O(12), one O(2), one O(4), one O(5), and one O(7) atom to form YO6 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 17-32°. In the second Y site, Y(2) is bonded to one O(1), one O(11), one O(3), one O(6), one O(8), and one O(9) atom to form YO6 octahedra that share corners with two equivalent Ru(2)O6 octahedra and corners with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-33°. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(11), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form RuO6 octahedra that share corners with two equivalent Y(1)O6 octahedra and corners with four equivalent Y(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-33°. In the second Ru site, Ru(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(7) atom to form RuO6 octahedra that share corners with two equivalent Y(2)O6 octahedra and corners with four equivalent Y(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-32°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(4), one Y(2), and one Ru(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(4), one Y(1), and one Ru(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one Y(2), and one Ru(2) atom. In the fourth O site, O(4) is bonded to one Li(1), one Sr(1), one Sr(2), one Y(1), and one Ru(1) atom to form distorted edge-sharing OSr2LiYRu trigonal bipyramids. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Y(1), and one Ru(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Sr(1), one Sr(4), one Y(2), and one Ru(1) atom. In the seventh O site, O(7) is bonded to one Sr(2), one Sr(3), one Sr(4), one Y(1), and one Ru(2) atom to form distorted edge-sharing OSr3YRu square pyramids. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), one Sr(4), one Y(2), and one Ru(1) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(3), one Sr(4), one Y(2), and one Ru(1) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Y(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 Sr(3), one Y(2), and one Ru(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(1), one Sr(1), one Sr(2), one Y(1), and one Ru(2) atom. is represented by the CIF file [CIF]
data_Sr4LiY2(RuO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.936
_cell_length_b   5.912
_cell_length_c   8.286
_cell_angle_alpha   89.891
_cell_angle_beta   90.352
_cell_angle_gamma   90.713
_symmetry_Int_Tables_number   1
_cell_volume   290.747
_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  0.498  0.578  0.246  1.0
  Sr  Sr1  1  0.043  0.969  0.271  1.0
  Sr  Sr2  1  0.007  0.958  0.753  1.0
  Sr  Sr3  1  0.487  0.467  0.757  1.0
  Li  Li4  1  0.673  0.184  0.235  1.0
  Y  Y5  1  0.504  0.998  0.514  1.0
  Y  Y6  1  0.997  0.492  0.000  1.0
  Ru  Ru7  1  0.497  0.002  0.994  1.0
  Ru  Ru8  1  0.999  0.493  0.499  1.0
  O  O9  1  0.923  0.503  0.731  1.0
  O  O10  1  0.580  0.022  0.767  1.0
  O  O11  1  0.074  0.501  0.265  1.0
  O  O12  1  0.440  0.986  0.241  1.0
  O  O13  1  0.792  0.761  0.467  1.0
  O  O14  1  0.675  0.299  0.036  1.0
  O  O15  1  0.201  0.227  0.539  1.0
  O  O16  1  0.300  0.723  0.963  1.0
  O  O17  1  0.224  0.192  0.963  1.0
  O  O18  1  0.260  0.708  0.536  1.0
  O  O19  1  0.776  0.816  0.039  1.0
  O  O20  1  0.737  0.285  0.441  1.0
[/CIF]
.
The crystal structure described by LiSr4Y2(RuO6)2 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted trigonal non-coplanar geometry to one Sr(2), one O(12), one O(4), and one O(6) atom. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(12), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to one Li(1), one O(10), one O(11), one O(12), one O(4), one O(5), one O(7), one O(9), and two equivalent O(3) atoms. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(5), one O(7), one O(8), and one O(9) atom. In the fourth Sr site, Sr(4) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(2), one O(6), one O(7), one O(8), and one O(9) atom. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(10), one O(12), one O(2), one O(4), one O(5), and one O(7) atom to form YO6 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 17-32°. In the second Y site, Y(2) is bonded to one O(1), one O(11), one O(3), one O(6), one O(8), and one O(9) atom to form YO6 octahedra that share corners with two equivalent Ru(2)O6 octahedra and corners with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-33°. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(11), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form RuO6 octahedra that share corners with two equivalent Y(1)O6 octahedra and corners with four equivalent Y(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-33°. In the second Ru site, Ru(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(7) atom to form RuO6 octahedra that share corners with two equivalent Y(2)O6 octahedra and corners with four equivalent Y(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-32°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(4), one Y(2), and one Ru(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(4), one Y(1), and one Ru(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one Y(2), and one Ru(2) atom. In the fourth O site, O(4) is bonded to one Li(1), one Sr(1), one Sr(2), one Y(1), and one Ru(1) atom to form distorted edge-sharing OSr2LiYRu trigonal bipyramids. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Y(1), and one Ru(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Sr(1), one Sr(4), one Y(2), and one Ru(1) atom. In the seventh O site, O(7) is bonded to one Sr(2), one Sr(3), one Sr(4), one Y(1), and one Ru(2) atom to form distorted edge-sharing OSr3YRu square pyramids. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), one Sr(4), one Y(2), and one Ru(1) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(3), one Sr(4), one Y(2), and one Ru(1) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Y(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 Sr(3), one Y(2), and one Ru(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(1), one Sr(1), one Sr(2), one Y(1), and one Ru(2) atom. is represented by the CIF file [CIF]
data_Sr4LiY2(RuO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.936
_cell_length_b   5.912
_cell_length_c   8.286
_cell_angle_alpha   89.891
_cell_angle_beta   90.352
_cell_angle_gamma   90.713
_symmetry_Int_Tables_number   1
_cell_volume   290.747
_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  0.498  0.578  0.246  1.0
  Sr  Sr1  1  0.043  0.969  0.271  1.0
  Sr  Sr2  1  0.007  0.958  0.753  1.0
  Sr  Sr3  1  0.487  0.467  0.757  1.0
  Li  Li4  1  0.673  0.184  0.235  1.0
  Y  Y5  1  0.504  0.998  0.514  1.0
  Y  Y6  1  0.997  0.492  0.000  1.0
  Ru  Ru7  1  0.497  0.002  0.994  1.0
  Ru  Ru8  1  0.999  0.493  0.499  1.0
  O  O9  1  0.923  0.503  0.731  1.0
  O  O10  1  0.580  0.022  0.767  1.0
  O  O11  1  0.074  0.501  0.265  1.0
  O  O12  1  0.440  0.986  0.241  1.0
  O  O13  1  0.792  0.761  0.467  1.0
  O  O14  1  0.675  0.299  0.036  1.0
  O  O15  1  0.201  0.227  0.539  1.0
  O  O16  1  0.300  0.723  0.963  1.0
  O  O17  1  0.224  0.192  0.963  1.0
  O  O18  1  0.260  0.708  0.536  1.0
  O  O19  1  0.776  0.816  0.039  1.0
  O  O20  1  0.737  0.285  0.441  1.0
[/CIF]
.