The crystal structure described by SrCa3(RuO4)2 crystallizes in the orthorhombic Iba2 space group. Sr(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), and four equivalent O(5) atoms. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(2), and four equivalent O(6) atoms. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one O(5), two equivalent O(2), and four equivalent O(3) atoms. In the third Ca site, Ca(3) is bonded in a 7-coordinate geometry to one O(6), two equivalent O(1), and four equivalent O(4) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(3), one O(6), and four equivalent O(2) atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 30°. In the second Ru site, Ru(2) is bonded to one O(4), one O(5), and four equivalent O(1) atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 25°. There are six inequivalent O sites. In the first O site, O(3) is bonded to one Sr(1), four equivalent Ca(2), and one Ru(1) atom to form OSrCa4Ru octahedra that share  a cornercorner with one O(6)Ca5Ru octahedra, corners with four equivalent O(3)SrCa4Ru octahedra, corners with four equivalent O(2)Ca2Ru2 tetrahedra, edges with four equivalent O(5)Sr4CaRu octahedra, edges with four equivalent O(3)SrCa4Ru octahedra, and edges with four equivalent O(2)Ca2Ru2 tetrahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second O site, O(4) is bonded to one Ca(1), four equivalent Ca(3), and one Ru(2) atom to form OCa5Ru octahedra that share  a cornercorner with one O(5)Sr4CaRu octahedra, corners with four equivalent O(4)Ca5Ru octahedra, corners with two equivalent O(2)Ca2Ru2 tetrahedra, edges with four equivalent O(4)Ca5Ru octahedra, and edges with four equivalent O(6)Ca5Ru octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(5) is bonded to four equivalent Sr(1), one Ca(2), and one Ru(2) atom to form OSr4CaRu octahedra that share  a cornercorner with one O(4)Ca5Ru octahedra, corners with four equivalent O(5)Sr4CaRu octahedra, corners with two equivalent O(2)Ca2Ru2 tetrahedra, edges with four equivalent O(5)Sr4CaRu octahedra, and edges with four equivalent O(3)SrCa4Ru octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the fourth O site, O(6) is bonded to one Ca(3), four equivalent Ca(1), and one Ru(1) atom to form OCa5Ru octahedra that share  a cornercorner with one O(3)SrCa4Ru octahedra, corners with four equivalent O(6)Ca5Ru octahedra, corners with four equivalent O(2)Ca2Ru2 tetrahedra, edges with four equivalent O(4)Ca5Ru octahedra, edges with four equivalent O(6)Ca5Ru octahedra, and edges with four equivalent O(2)Ca2Ru2 tetrahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the fifth O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(3), and two equivalent Ru(2) atoms. In the sixth O site, O(2) is bonded to one Ca(1), one Ca(2), and two equivalent Ru(1) atoms to form distorted OCa2Ru2 tetrahedra that share  a cornercorner with one O(4)Ca5Ru octahedra,  a cornercorner with one O(5)Sr4CaRu octahedra, corners with two equivalent O(6)Ca5Ru octahedra, corners with two equivalent O(3)SrCa4Ru octahedra, corners with six equivalent O(2)Ca2Ru2 tetrahedra, edges with two equivalent O(6)Ca5Ru octahedra, edges with two equivalent O(3)SrCa4Ru octahedra, and  an edgeedge with one O(2)Ca2Ru2 tetrahedra. The corner-sharing octahedral tilt angles range from 36-63°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrCa3(RuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.279
_cell_length_b   13.279
_cell_length_c   13.279
_cell_angle_alpha   156.636
_cell_angle_beta   156.635
_cell_angle_gamma   33.280
_symmetry_Int_Tables_number   1
_cell_volume   367.948
_cell_formula_units_Z   2
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  0.201  0.701  0.500  1.0
  Sr  Sr1  1  0.701  0.201  0.500  1.0
  Ca  Ca2  1  0.452  0.452  0.000  1.0
  Ca  Ca3  1  0.952  0.952  0.000  1.0
  Ca  Ca4  1  0.301  0.301  0.000  1.0
  Ca  Ca5  1  0.801  0.801  0.000  1.0
  Ca  Ca6  1  0.048  0.548  0.500  1.0
  Ca  Ca7  1  0.548  0.048  0.500  1.0
  Ru  Ru8  1  0.377  0.877  0.500  1.0
  Ru  Ru9  1  0.877  0.377  0.500  1.0
  Ru  Ru10  1  0.623  0.623  0.000  1.0
  Ru  Ru11  1  0.123  0.123  0.000  1.0
  O  O12  1  0.816  0.316  0.889  1.0
  O  O13  1  0.316  0.427  0.500  1.0
  O  O14  1  0.059  0.059  0.365  1.0
  O  O15  1  0.559  0.194  1.000  1.0
  O  O16  1  0.694  0.694  0.635  1.0
  O  O17  1  0.194  0.559  0.000  1.0
  O  O18  1  0.427  0.927  0.111  1.0
  O  O19  1  0.927  0.816  0.500  1.0
  O  O20  1  0.296  0.796  0.500  1.0
  O  O21  1  0.796  0.296  0.500  1.0
  O  O22  1  0.541  0.541  0.000  1.0
  O  O23  1  0.041  0.041  0.000  1.0
  O  O24  1  0.208  0.208  0.000  1.0
  O  O25  1  0.708  0.708  0.000  1.0
  O  O26  1  0.959  0.459  0.500  1.0
  O  O27  1  0.459  0.959  0.500  1.0
[/CIF]
.
The crystal structure described by SrCa3(RuO4)2 crystallizes in the orthorhombic Iba2 space group. Sr(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), and four equivalent O(5) atoms. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(2), and four equivalent O(6) atoms. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one O(5), two equivalent O(2), and four equivalent O(3) atoms. In the third Ca site, Ca(3) is bonded in a 7-coordinate geometry to one O(6), two equivalent O(1), and four equivalent O(4) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(3), one O(6), and four equivalent O(2) atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 30°. In the second Ru site, Ru(2) is bonded to one O(4), one O(5), and four equivalent O(1) atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 25°. There are six inequivalent O sites. In the first O site, O(3) is bonded to one Sr(1), four equivalent Ca(2), and one Ru(1) atom to form OSrCa4Ru octahedra that share  a cornercorner with one O(6)Ca5Ru octahedra, corners with four equivalent O(3)SrCa4Ru octahedra, corners with four equivalent O(2)Ca2Ru2 tetrahedra, edges with four equivalent O(5)Sr4CaRu octahedra, edges with four equivalent O(3)SrCa4Ru octahedra, and edges with four equivalent O(2)Ca2Ru2 tetrahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second O site, O(4) is bonded to one Ca(1), four equivalent Ca(3), and one Ru(2) atom to form OCa5Ru octahedra that share  a cornercorner with one O(5)Sr4CaRu octahedra, corners with four equivalent O(4)Ca5Ru octahedra, corners with two equivalent O(2)Ca2Ru2 tetrahedra, edges with four equivalent O(4)Ca5Ru octahedra, and edges with four equivalent O(6)Ca5Ru octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(5) is bonded to four equivalent Sr(1), one Ca(2), and one Ru(2) atom to form OSr4CaRu octahedra that share  a cornercorner with one O(4)Ca5Ru octahedra, corners with four equivalent O(5)Sr4CaRu octahedra, corners with two equivalent O(2)Ca2Ru2 tetrahedra, edges with four equivalent O(5)Sr4CaRu octahedra, and edges with four equivalent O(3)SrCa4Ru octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the fourth O site, O(6) is bonded to one Ca(3), four equivalent Ca(1), and one Ru(1) atom to form OCa5Ru octahedra that share  a cornercorner with one O(3)SrCa4Ru octahedra, corners with four equivalent O(6)Ca5Ru octahedra, corners with four equivalent O(2)Ca2Ru2 tetrahedra, edges with four equivalent O(4)Ca5Ru octahedra, edges with four equivalent O(6)Ca5Ru octahedra, and edges with four equivalent O(2)Ca2Ru2 tetrahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the fifth O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(3), and two equivalent Ru(2) atoms. In the sixth O site, O(2) is bonded to one Ca(1), one Ca(2), and two equivalent Ru(1) atoms to form distorted OCa2Ru2 tetrahedra that share  a cornercorner with one O(4)Ca5Ru octahedra,  a cornercorner with one O(5)Sr4CaRu octahedra, corners with two equivalent O(6)Ca5Ru octahedra, corners with two equivalent O(3)SrCa4Ru octahedra, corners with six equivalent O(2)Ca2Ru2 tetrahedra, edges with two equivalent O(6)Ca5Ru octahedra, edges with two equivalent O(3)SrCa4Ru octahedra, and  an edgeedge with one O(2)Ca2Ru2 tetrahedra. The corner-sharing octahedral tilt angles range from 36-63°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrCa3(RuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.279
_cell_length_b   13.279
_cell_length_c   13.279
_cell_angle_alpha   156.636
_cell_angle_beta   156.635
_cell_angle_gamma   33.280
_symmetry_Int_Tables_number   1
_cell_volume   367.948
_cell_formula_units_Z   2
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  0.201  0.701  0.500  1.0
  Sr  Sr1  1  0.701  0.201  0.500  1.0
  Ca  Ca2  1  0.452  0.452  0.000  1.0
  Ca  Ca3  1  0.952  0.952  0.000  1.0
  Ca  Ca4  1  0.301  0.301  0.000  1.0
  Ca  Ca5  1  0.801  0.801  0.000  1.0
  Ca  Ca6  1  0.048  0.548  0.500  1.0
  Ca  Ca7  1  0.548  0.048  0.500  1.0
  Ru  Ru8  1  0.377  0.877  0.500  1.0
  Ru  Ru9  1  0.877  0.377  0.500  1.0
  Ru  Ru10  1  0.623  0.623  0.000  1.0
  Ru  Ru11  1  0.123  0.123  0.000  1.0
  O  O12  1  0.816  0.316  0.889  1.0
  O  O13  1  0.316  0.427  0.500  1.0
  O  O14  1  0.059  0.059  0.365  1.0
  O  O15  1  0.559  0.194  1.000  1.0
  O  O16  1  0.694  0.694  0.635  1.0
  O  O17  1  0.194  0.559  0.000  1.0
  O  O18  1  0.427  0.927  0.111  1.0
  O  O19  1  0.927  0.816  0.500  1.0
  O  O20  1  0.296  0.796  0.500  1.0
  O  O21  1  0.796  0.296  0.500  1.0
  O  O22  1  0.541  0.541  0.000  1.0
  O  O23  1  0.041  0.041  0.000  1.0
  O  O24  1  0.208  0.208  0.000  1.0
  O  O25  1  0.708  0.708  0.000  1.0
  O  O26  1  0.959  0.459  0.500  1.0
  O  O27  1  0.459  0.959  0.500  1.0
[/CIF]
.