The structure described by Ca2Ga2O5 crystallizes in the orthorhombic Ima2 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(2), two equivalent O(3), and four equivalent O(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form GaO4 tetrahedra that share corners with two equivalent Ga(2)O6 octahedra and corners with two equivalent Ga(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. In the second Ga site, Ga(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form GaO6 octahedra that share corners with four equivalent Ga(2)O6 octahedra and corners with two equivalent Ga(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 13°. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ca(1) and two equivalent Ga(2) atoms to form distorted OCa4Ga2 octahedra that share corners with two equivalent O(1)Ca4Ga2 octahedra, corners with four equivalent O(2)Ca2Ga2 tetrahedra, edges with two equivalent O(1)Ca4Ga2 octahedra, and faces with four equivalent O(1)Ca4Ga2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second O site, O(2) is bonded to two equivalent Ca(1) and two equivalent Ga(1) atoms to form distorted OCa2Ga2 tetrahedra that share corners with eight equivalent O(1)Ca4Ga2 octahedra and corners with two equivalent O(2)Ca2Ga2 tetrahedra. The corner-sharing octahedral tilt angles range from 19-84°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Ga(1), and one Ga(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2Ga2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.332
_cell_length_b   8.332
_cell_length_c   8.332
_cell_angle_alpha   141.959
_cell_angle_beta   140.366
_cell_angle_gamma   56.103
_symmetry_Int_Tables_number   1
_cell_volume   225.587
_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  0.136  0.592  0.513  1.0
  Ca  Ca1  1  0.864  0.377  0.456  1.0
  Ca  Ca2  1  0.579  0.092  0.456  1.0
  Ca  Ca3  1  0.421  0.877  0.513  1.0
  Ga  Ga4  1  0.821  0.704  0.024  1.0
  Ga  Ga5  1  0.179  0.204  0.883  1.0
  Ga  Ga6  1  0.500  0.498  0.998  1.0
  Ga  Ga7  1  0.000  0.998  0.998  1.0
  O  O8  1  0.760  0.261  0.991  1.0
  O  O9  1  0.240  0.231  0.501  1.0
  O  O10  1  0.770  0.761  0.501  1.0
  O  O11  1  0.230  0.731  0.991  1.0
  O  O12  1  0.126  0.854  0.480  1.0
  O  O13  1  0.874  0.354  0.727  1.0
  O  O14  1  0.431  0.392  0.107  1.0
  O  O15  1  0.569  0.675  0.960  1.0
  O  O16  1  0.215  0.175  0.107  1.0
  O  O17  1  0.785  0.892  0.960  1.0
[/CIF]
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The structure described by Ca2Ga2O5 crystallizes in the orthorhombic Ima2 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(2), two equivalent O(3), and four equivalent O(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form GaO4 tetrahedra that share corners with two equivalent Ga(2)O6 octahedra and corners with two equivalent Ga(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. In the second Ga site, Ga(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form GaO6 octahedra that share corners with four equivalent Ga(2)O6 octahedra and corners with two equivalent Ga(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 13°. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ca(1) and two equivalent Ga(2) atoms to form distorted OCa4Ga2 octahedra that share corners with two equivalent O(1)Ca4Ga2 octahedra, corners with four equivalent O(2)Ca2Ga2 tetrahedra, edges with two equivalent O(1)Ca4Ga2 octahedra, and faces with four equivalent O(1)Ca4Ga2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second O site, O(2) is bonded to two equivalent Ca(1) and two equivalent Ga(1) atoms to form distorted OCa2Ga2 tetrahedra that share corners with eight equivalent O(1)Ca4Ga2 octahedra and corners with two equivalent O(2)Ca2Ga2 tetrahedra. The corner-sharing octahedral tilt angles range from 19-84°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Ga(1), and one Ga(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2Ga2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.332
_cell_length_b   8.332
_cell_length_c   8.332
_cell_angle_alpha   141.959
_cell_angle_beta   140.366
_cell_angle_gamma   56.103
_symmetry_Int_Tables_number   1
_cell_volume   225.587
_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  0.136  0.592  0.513  1.0
  Ca  Ca1  1  0.864  0.377  0.456  1.0
  Ca  Ca2  1  0.579  0.092  0.456  1.0
  Ca  Ca3  1  0.421  0.877  0.513  1.0
  Ga  Ga4  1  0.821  0.704  0.024  1.0
  Ga  Ga5  1  0.179  0.204  0.883  1.0
  Ga  Ga6  1  0.500  0.498  0.998  1.0
  Ga  Ga7  1  0.000  0.998  0.998  1.0
  O  O8  1  0.760  0.261  0.991  1.0
  O  O9  1  0.240  0.231  0.501  1.0
  O  O10  1  0.770  0.761  0.501  1.0
  O  O11  1  0.230  0.731  0.991  1.0
  O  O12  1  0.126  0.854  0.480  1.0
  O  O13  1  0.874  0.354  0.727  1.0
  O  O14  1  0.431  0.392  0.107  1.0
  O  O15  1  0.569  0.675  0.960  1.0
  O  O16  1  0.215  0.175  0.107  1.0
  O  O17  1  0.785  0.892  0.960  1.0
[/CIF]
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