The crystal structure described by Ca2PrCu2GaO7 crystallizes in the orthorhombic Ima2 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Pr(1) is bonded in a body-centered cubic geometry to four equivalent O(3) and four equivalent O(4) atoms. Cu(1) is bonded to one O(2), two equivalent O(3), and two equivalent O(4) atoms to form CuO5 square pyramids that share corners with four equivalent Cu(1)O5 square pyramids and  a cornercorner with one Ga(1)O4 tetrahedra. Ga(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form GaO4 tetrahedra that share corners with two equivalent Cu(1)O5 square pyramids and corners with two equivalent Ga(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(4) is bonded to two equivalent Ca(1), two equivalent Pr(1), and two equivalent Cu(1) atoms to form distorted OCa2Pr2Cu2 octahedra that share corners with four equivalent O(3)Ca2Pr2Cu2 octahedra, corners with four equivalent O(4)Ca2Pr2Cu2 octahedra, corners with two equivalent O(1)Ca2Ga2 tetrahedra, edges with three equivalent O(3)Ca2Pr2Cu2 octahedra, faces with two equivalent O(3)Ca2Pr2Cu2 octahedra, and faces with two equivalent O(4)Ca2Pr2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the second O site, O(1) is bonded to two equivalent Ca(1) and two equivalent Ga(1) atoms to form OCa2Ga2 tetrahedra that share corners with four equivalent O(3)Ca2Pr2Cu2 octahedra, corners with four equivalent O(4)Ca2Pr2Cu2 octahedra, and corners with two equivalent O(1)Ca2Ga2 tetrahedra. The corner-sharing octahedral tilt angles range from 15-79°. In the third O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Cu(1), and one Ga(1) atom. In the fourth O site, O(3) is bonded to two equivalent Ca(1), two equivalent Pr(1), and two equivalent Cu(1) atoms to form distorted OCa2Pr2Cu2 octahedra that share corners with four equivalent O(3)Ca2Pr2Cu2 octahedra, corners with four equivalent O(4)Ca2Pr2Cu2 octahedra, corners with two equivalent O(1)Ca2Ga2 tetrahedra, edges with three equivalent O(4)Ca2Pr2Cu2 octahedra, faces with two equivalent O(3)Ca2Pr2Cu2 octahedra, and faces with two equivalent O(4)Ca2Pr2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2PrGaCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.765
_cell_length_b   11.765
_cell_length_c   11.765
_cell_angle_alpha   153.261
_cell_angle_beta   152.408
_cell_angle_gamma   38.801
_symmetry_Int_Tables_number   1
_cell_volume   338.778
_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  0.697  0.621  0.009  1.0
  Ca  Ca1  1  0.303  0.312  0.924  1.0
  Ca  Ca2  1  0.112  0.121  0.924  1.0
  Ca  Ca3  1  0.888  0.812  0.009  1.0
  Pr  Pr4  1  0.000  0.994  0.994  1.0
  Pr  Pr5  1  0.500  0.494  0.994  1.0
  Ga  Ga6  1  0.323  0.695  0.518  1.0
  Ga  Ga7  1  0.677  0.195  0.372  1.0
  Cu  Cu8  1  0.576  0.072  0.488  1.0
  Cu  Cu9  1  0.424  0.912  0.496  1.0
  Cu  Cu10  1  0.084  0.572  0.496  1.0
  Cu  Cu11  1  0.916  0.412  0.488  1.0
  O  O12  1  0.364  0.342  0.207  1.0
  O  O13  1  0.635  0.842  0.978  1.0
  O  O14  1  0.748  0.220  0.609  1.0
  O  O15  1  0.252  0.861  0.472  1.0
  O  O16  1  0.111  0.720  0.472  1.0
  O  O17  1  0.889  0.361  0.609  1.0
  O  O18  1  0.817  0.812  0.490  1.0
  O  O19  1  0.183  0.673  0.995  1.0
  O  O20  1  0.822  0.312  0.995  1.0
  O  O21  1  0.178  0.173  0.490  1.0
  O  O22  1  0.325  0.318  0.496  1.0
  O  O23  1  0.675  0.171  0.993  1.0
  O  O24  1  0.322  0.818  0.993  1.0
  O  O25  1  0.678  0.671  0.496  1.0
[/CIF]
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The crystal structure described by Ca2PrCu2GaO7 crystallizes in the orthorhombic Ima2 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Pr(1) is bonded in a body-centered cubic geometry to four equivalent O(3) and four equivalent O(4) atoms. Cu(1) is bonded to one O(2), two equivalent O(3), and two equivalent O(4) atoms to form CuO5 square pyramids that share corners with four equivalent Cu(1)O5 square pyramids and  a cornercorner with one Ga(1)O4 tetrahedra. Ga(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form GaO4 tetrahedra that share corners with two equivalent Cu(1)O5 square pyramids and corners with two equivalent Ga(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(4) is bonded to two equivalent Ca(1), two equivalent Pr(1), and two equivalent Cu(1) atoms to form distorted OCa2Pr2Cu2 octahedra that share corners with four equivalent O(3)Ca2Pr2Cu2 octahedra, corners with four equivalent O(4)Ca2Pr2Cu2 octahedra, corners with two equivalent O(1)Ca2Ga2 tetrahedra, edges with three equivalent O(3)Ca2Pr2Cu2 octahedra, faces with two equivalent O(3)Ca2Pr2Cu2 octahedra, and faces with two equivalent O(4)Ca2Pr2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the second O site, O(1) is bonded to two equivalent Ca(1) and two equivalent Ga(1) atoms to form OCa2Ga2 tetrahedra that share corners with four equivalent O(3)Ca2Pr2Cu2 octahedra, corners with four equivalent O(4)Ca2Pr2Cu2 octahedra, and corners with two equivalent O(1)Ca2Ga2 tetrahedra. The corner-sharing octahedral tilt angles range from 15-79°. In the third O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Cu(1), and one Ga(1) atom. In the fourth O site, O(3) is bonded to two equivalent Ca(1), two equivalent Pr(1), and two equivalent Cu(1) atoms to form distorted OCa2Pr2Cu2 octahedra that share corners with four equivalent O(3)Ca2Pr2Cu2 octahedra, corners with four equivalent O(4)Ca2Pr2Cu2 octahedra, corners with two equivalent O(1)Ca2Ga2 tetrahedra, edges with three equivalent O(4)Ca2Pr2Cu2 octahedra, faces with two equivalent O(3)Ca2Pr2Cu2 octahedra, and faces with two equivalent O(4)Ca2Pr2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2PrGaCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.765
_cell_length_b   11.765
_cell_length_c   11.765
_cell_angle_alpha   153.261
_cell_angle_beta   152.408
_cell_angle_gamma   38.801
_symmetry_Int_Tables_number   1
_cell_volume   338.778
_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  0.697  0.621  0.009  1.0
  Ca  Ca1  1  0.303  0.312  0.924  1.0
  Ca  Ca2  1  0.112  0.121  0.924  1.0
  Ca  Ca3  1  0.888  0.812  0.009  1.0
  Pr  Pr4  1  0.000  0.994  0.994  1.0
  Pr  Pr5  1  0.500  0.494  0.994  1.0
  Ga  Ga6  1  0.323  0.695  0.518  1.0
  Ga  Ga7  1  0.677  0.195  0.372  1.0
  Cu  Cu8  1  0.576  0.072  0.488  1.0
  Cu  Cu9  1  0.424  0.912  0.496  1.0
  Cu  Cu10  1  0.084  0.572  0.496  1.0
  Cu  Cu11  1  0.916  0.412  0.488  1.0
  O  O12  1  0.364  0.342  0.207  1.0
  O  O13  1  0.635  0.842  0.978  1.0
  O  O14  1  0.748  0.220  0.609  1.0
  O  O15  1  0.252  0.861  0.472  1.0
  O  O16  1  0.111  0.720  0.472  1.0
  O  O17  1  0.889  0.361  0.609  1.0
  O  O18  1  0.817  0.812  0.490  1.0
  O  O19  1  0.183  0.673  0.995  1.0
  O  O20  1  0.822  0.312  0.995  1.0
  O  O21  1  0.178  0.173  0.490  1.0
  O  O22  1  0.325  0.318  0.496  1.0
  O  O23  1  0.675  0.171  0.993  1.0
  O  O24  1  0.322  0.818  0.993  1.0
  O  O25  1  0.678  0.671  0.496  1.0
[/CIF]
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