The material described by Sr4CaY2(RuO6)2 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. 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 8-coordinate geometry to one O(11), one O(12), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(9) atom. In the third Sr site, Sr(3) is bonded in a 7-coordinate geometry to one O(1), one O(10), 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 9-coordinate geometry to one O(10), one O(12), one O(2), one O(6), one O(7), one O(8), one O(9), and two equivalent O(1) atoms. Ca(1) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(2), one O(6), and one O(9) atom. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(2), one O(4), and one O(5) atom. 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 distorted YO6 trigonal bipyramids 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 12-45°. 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 four equivalent Y(2)O6 trigonal bipyramids. 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 trigonal bipyramids. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(3), two equivalent Sr(4), one Ca(1), one Y(2), and one Ru(2) atom. In the second O site, O(2) is bonded to one Sr(3), one Sr(4), one Ca(1), one Y(1), and one Ru(1) atom to form a mixture of distorted edge and corner-sharing OSr2CaYRu square pyramids. In the third O site, O(3) is bonded to one Sr(1), one Sr(2), one Y(2), and one Ru(2) atom to form distorted edge-sharing OSr2YRu tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Y(1), and one Ru(1) atom. 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 Sr(1), one Sr(2), one Sr(4), one Ca(1), one Y(2), and one Ru(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(3), one Sr(4), and one Ru(2) atom. In the eighth O site, O(8) is bonded to one Sr(1), one Sr(3), one Sr(4), one Y(2), and one Ru(1) atom to form distorted OSr3YRu trigonal bipyramids that share  a cornercorner with one O(2)Sr2CaYRu square pyramid,  a cornercorner with one O(10)Sr3YRu trigonal bipyramid,  an edgeedge with one O(2)Sr2CaYRu square pyramid,  an edgeedge with one O(3)Sr2YRu tetrahedra, and  an edgeedge with one O(10)Sr3YRu trigonal bipyramid. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), one Sr(4), one Ca(1), one Y(2), and one Ru(1) atom. In the tenth O site, O(10) is bonded to one Sr(1), one Sr(3), one Sr(4), one Y(1), and one Ru(2) atom to form distorted OSr3YRu trigonal bipyramids that share  a cornercorner with one O(2)Sr2CaYRu square pyramid,  a cornercorner with one O(8)Sr3YRu trigonal bipyramid,  an edgeedge with one O(2)Sr2CaYRu square pyramid,  an edgeedge with one O(3)Sr2YRu tetrahedra, and  an edgeedge with one O(8)Sr3YRu trigonal bipyramid. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Ca(1), one Y(2), and one Ru(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), one Sr(4), one Y(1), and one Ru(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr4CaY2(RuO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.037
_cell_length_b   6.217
_cell_length_c   8.266
_cell_angle_alpha   87.222
_cell_angle_beta   92.882
_cell_angle_gamma   94.277
_symmetry_Int_Tables_number   1
_cell_volume   308.673
_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  0.486  0.544  0.258  1.0
  Sr  Sr1  1  0.022  0.072  0.257  1.0
  Sr  Sr2  1  0.131  0.879  0.701  1.0
  Sr  Sr3  1  0.418  0.430  0.760  1.0
  Ca  Ca4  1  0.860  0.172  0.837  1.0
  Y  Y5  1  0.559  0.980  0.490  1.0
  Y  Y6  1  0.957  0.583  0.021  1.0
  Ru  Ru7  1  0.475  0.009  0.006  1.0
  Ru  Ru8  1  0.002  0.492  0.497  1.0
  O  O9  1  0.948  0.516  0.749  1.0
  O  O10  1  0.528  0.025  0.755  1.0
  O  O11  1  0.070  0.477  0.263  1.0
  O  O12  1  0.423  0.986  0.241  1.0
  O  O13  1  0.835  0.781  0.456  1.0
  O  O14  1  0.672  0.315  0.026  1.0
  O  O15  1  0.164  0.224  0.548  1.0
  O  O16  1  0.303  0.720  0.972  1.0
  O  O17  1  0.201  0.166  0.959  1.0
  O  O18  1  0.309  0.677  0.523  1.0
  O  O19  1  0.770  0.861  0.040  1.0
  O  O20  1  0.721  0.311  0.468  1.0
[/CIF]
.
The material described by Sr4CaY2(RuO6)2 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. 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 8-coordinate geometry to one O(11), one O(12), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(9) atom. In the third Sr site, Sr(3) is bonded in a 7-coordinate geometry to one O(1), one O(10), 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 9-coordinate geometry to one O(10), one O(12), one O(2), one O(6), one O(7), one O(8), one O(9), and two equivalent O(1) atoms. Ca(1) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(2), one O(6), and one O(9) atom. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(2), one O(4), and one O(5) atom. 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 distorted YO6 trigonal bipyramids 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 12-45°. 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 four equivalent Y(2)O6 trigonal bipyramids. 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 trigonal bipyramids. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(3), two equivalent Sr(4), one Ca(1), one Y(2), and one Ru(2) atom. In the second O site, O(2) is bonded to one Sr(3), one Sr(4), one Ca(1), one Y(1), and one Ru(1) atom to form a mixture of distorted edge and corner-sharing OSr2CaYRu square pyramids. In the third O site, O(3) is bonded to one Sr(1), one Sr(2), one Y(2), and one Ru(2) atom to form distorted edge-sharing OSr2YRu tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Y(1), and one Ru(1) atom. 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 Sr(1), one Sr(2), one Sr(4), one Ca(1), one Y(2), and one Ru(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(3), one Sr(4), and one Ru(2) atom. In the eighth O site, O(8) is bonded to one Sr(1), one Sr(3), one Sr(4), one Y(2), and one Ru(1) atom to form distorted OSr3YRu trigonal bipyramids that share  a cornercorner with one O(2)Sr2CaYRu square pyramid,  a cornercorner with one O(10)Sr3YRu trigonal bipyramid,  an edgeedge with one O(2)Sr2CaYRu square pyramid,  an edgeedge with one O(3)Sr2YRu tetrahedra, and  an edgeedge with one O(10)Sr3YRu trigonal bipyramid. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), one Sr(4), one Ca(1), one Y(2), and one Ru(1) atom. In the tenth O site, O(10) is bonded to one Sr(1), one Sr(3), one Sr(4), one Y(1), and one Ru(2) atom to form distorted OSr3YRu trigonal bipyramids that share  a cornercorner with one O(2)Sr2CaYRu square pyramid,  a cornercorner with one O(8)Sr3YRu trigonal bipyramid,  an edgeedge with one O(2)Sr2CaYRu square pyramid,  an edgeedge with one O(3)Sr2YRu tetrahedra, and  an edgeedge with one O(8)Sr3YRu trigonal bipyramid. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Ca(1), one Y(2), and one Ru(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), one Sr(4), one Y(1), and one Ru(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr4CaY2(RuO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.037
_cell_length_b   6.217
_cell_length_c   8.266
_cell_angle_alpha   87.222
_cell_angle_beta   92.882
_cell_angle_gamma   94.277
_symmetry_Int_Tables_number   1
_cell_volume   308.673
_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  0.486  0.544  0.258  1.0
  Sr  Sr1  1  0.022  0.072  0.257  1.0
  Sr  Sr2  1  0.131  0.879  0.701  1.0
  Sr  Sr3  1  0.418  0.430  0.760  1.0
  Ca  Ca4  1  0.860  0.172  0.837  1.0
  Y  Y5  1  0.559  0.980  0.490  1.0
  Y  Y6  1  0.957  0.583  0.021  1.0
  Ru  Ru7  1  0.475  0.009  0.006  1.0
  Ru  Ru8  1  0.002  0.492  0.497  1.0
  O  O9  1  0.948  0.516  0.749  1.0
  O  O10  1  0.528  0.025  0.755  1.0
  O  O11  1  0.070  0.477  0.263  1.0
  O  O12  1  0.423  0.986  0.241  1.0
  O  O13  1  0.835  0.781  0.456  1.0
  O  O14  1  0.672  0.315  0.026  1.0
  O  O15  1  0.164  0.224  0.548  1.0
  O  O16  1  0.303  0.720  0.972  1.0
  O  O17  1  0.201  0.166  0.959  1.0
  O  O18  1  0.309  0.677  0.523  1.0
  O  O19  1  0.770  0.861  0.040  1.0
  O  O20  1  0.721  0.311  0.468  1.0
[/CIF]
.