The material structure described by Ca3Ru2O7 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to one O(2), two equivalent O(1), and three equivalent O(4) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Ru(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles range from 27-30°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ca(2), two equivalent Ca(1), and two equivalent Ru(1) atoms. In the second O site, O(2) is bonded to one Ca(1), two equivalent Ca(2), and two equivalent Ru(1) atoms to form distorted OCa3Ru2 trigonal bipyramids that share corners with four equivalent O(3)Ca2Ru2 tetrahedra, corners with two equivalent O(2)Ca3Ru2 trigonal bipyramids,  an edgeedge with one O(3)Ca2Ru2 tetrahedra, and edges with three equivalent O(2)Ca3Ru2 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Ca(2) and two equivalent Ru(1) atoms to form distorted OCa2Ru2 tetrahedra that share corners with two equivalent O(3)Ca2Ru2 tetrahedra, corners with eight equivalent O(2)Ca3Ru2 trigonal bipyramids, and edges with two equivalent O(2)Ca3Ru2 trigonal bipyramids. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to three equivalent Ca(1) and one Ru(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca3Ru2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.124
_cell_length_b   10.124
_cell_length_c   5.556
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   149.199
_symmetry_Int_Tables_number   1
_cell_volume   291.572
_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
  Ca  Ca0  1  0.555  0.932  0.306  1.0
  Ca  Ca1  1  0.445  0.068  0.806  1.0
  Ca  Ca2  1  0.068  0.445  0.806  1.0
  Ca  Ca3  1  0.932  0.555  0.306  1.0
  Ca  Ca4  1  0.266  0.266  0.691  1.0
  Ca  Ca5  1  0.734  0.734  0.191  1.0
  Ru  Ru6  1  0.654  0.851  0.751  1.0
  Ru  Ru7  1  0.346  0.149  0.251  1.0
  Ru  Ru8  1  0.149  0.346  0.251  1.0
  Ru  Ru9  1  0.851  0.654  0.751  1.0
  O  O10  1  0.067  0.834  0.045  1.0
  O  O11  1  0.933  0.166  0.545  1.0
  O  O12  1  0.166  0.933  0.545  1.0
  O  O13  1  0.834  0.067  0.045  1.0
  O  O14  1  0.529  0.367  0.951  1.0
  O  O15  1  0.471  0.633  0.451  1.0
  O  O16  1  0.633  0.471  0.451  1.0
  O  O17  1  0.367  0.529  0.951  1.0
  O  O18  1  0.163  0.163  0.271  1.0
  O  O19  1  0.837  0.837  0.771  1.0
  O  O20  1  0.121  0.518  0.230  1.0
  O  O21  1  0.879  0.482  0.730  1.0
  O  O22  1  0.482  0.879  0.730  1.0
  O  O23  1  0.518  0.121  0.230  1.0
[/CIF]
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The material structure described by Ca3Ru2O7 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to one O(2), two equivalent O(1), and three equivalent O(4) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Ru(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles range from 27-30°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ca(2), two equivalent Ca(1), and two equivalent Ru(1) atoms. In the second O site, O(2) is bonded to one Ca(1), two equivalent Ca(2), and two equivalent Ru(1) atoms to form distorted OCa3Ru2 trigonal bipyramids that share corners with four equivalent O(3)Ca2Ru2 tetrahedra, corners with two equivalent O(2)Ca3Ru2 trigonal bipyramids,  an edgeedge with one O(3)Ca2Ru2 tetrahedra, and edges with three equivalent O(2)Ca3Ru2 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Ca(2) and two equivalent Ru(1) atoms to form distorted OCa2Ru2 tetrahedra that share corners with two equivalent O(3)Ca2Ru2 tetrahedra, corners with eight equivalent O(2)Ca3Ru2 trigonal bipyramids, and edges with two equivalent O(2)Ca3Ru2 trigonal bipyramids. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to three equivalent Ca(1) and one Ru(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca3Ru2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.124
_cell_length_b   10.124
_cell_length_c   5.556
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   149.199
_symmetry_Int_Tables_number   1
_cell_volume   291.572
_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
  Ca  Ca0  1  0.555  0.932  0.306  1.0
  Ca  Ca1  1  0.445  0.068  0.806  1.0
  Ca  Ca2  1  0.068  0.445  0.806  1.0
  Ca  Ca3  1  0.932  0.555  0.306  1.0
  Ca  Ca4  1  0.266  0.266  0.691  1.0
  Ca  Ca5  1  0.734  0.734  0.191  1.0
  Ru  Ru6  1  0.654  0.851  0.751  1.0
  Ru  Ru7  1  0.346  0.149  0.251  1.0
  Ru  Ru8  1  0.149  0.346  0.251  1.0
  Ru  Ru9  1  0.851  0.654  0.751  1.0
  O  O10  1  0.067  0.834  0.045  1.0
  O  O11  1  0.933  0.166  0.545  1.0
  O  O12  1  0.166  0.933  0.545  1.0
  O  O13  1  0.834  0.067  0.045  1.0
  O  O14  1  0.529  0.367  0.951  1.0
  O  O15  1  0.471  0.633  0.451  1.0
  O  O16  1  0.633  0.471  0.451  1.0
  O  O17  1  0.367  0.529  0.951  1.0
  O  O18  1  0.163  0.163  0.271  1.0
  O  O19  1  0.837  0.837  0.771  1.0
  O  O20  1  0.121  0.518  0.230  1.0
  O  O21  1  0.879  0.482  0.730  1.0
  O  O22  1  0.482  0.879  0.730  1.0
  O  O23  1  0.518  0.121  0.230  1.0
[/CIF]
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