The crystal structure described by Sr2PrGaO5 crystallizes in the orthorhombic Fmmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted q6 geometry to two equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Pr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Ga(1) is bonded in a tetrahedral geometry to two equivalent O(2) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Pr(1) atoms to form OSr4Pr2 octahedra that share corners with six equivalent O(1)Sr4Pr2 octahedra, corners with eight equivalent O(2)Sr3Pr2Ga octahedra, corners with eight equivalent O(3)Sr4PrGa octahedra, faces with four equivalent O(2)Sr3Pr2Ga octahedra, and faces with four equivalent O(3)Sr4PrGa octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the second O site, O(2) is bonded to one Sr(2), two equivalent Sr(1), two equivalent Pr(1), and one Ga(1) atom to form distorted OSr3Pr2Ga octahedra that share corners with four equivalent O(2)Sr3Pr2Ga octahedra, corners with four equivalent O(1)Sr4Pr2 octahedra, corners with six equivalent O(3)Sr4PrGa octahedra, edges with two equivalent O(2)Sr3Pr2Ga octahedra, edges with six equivalent O(3)Sr4PrGa octahedra, faces with two equivalent O(2)Sr3Pr2Ga octahedra, and faces with two equivalent O(1)Sr4Pr2 octahedra. The corner-sharing octahedral tilt angles range from 30-65°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Pr(1), and one Ga(1) atom to form distorted OSr4PrGa octahedra that share corners with four equivalent O(1)Sr4Pr2 octahedra, corners with four equivalent O(3)Sr4PrGa octahedra, corners with six equivalent O(2)Sr3Pr2Ga octahedra, edges with two equivalent O(3)Sr4PrGa octahedra, edges with six equivalent O(2)Sr3Pr2Ga octahedra, faces with two equivalent O(1)Sr4Pr2 octahedra, and faces with two equivalent O(3)Sr4PrGa octahedra. The corner-sharing octahedral tilt angles range from 30-65°. is represented by the CIF file [CIF]
data_Sr2PrGaO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.857
_cell_length_b   6.857
_cell_length_c   7.489
_cell_angle_alpha   62.658
_cell_angle_beta   62.658
_cell_angle_gamma   89.812
_symmetry_Int_Tables_number   1
_cell_volume   268.091
_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  0.250  0.250  0.500  1.0
  Sr  Sr1  1  0.750  0.750  0.500  1.0
  Sr  Sr2  1  0.826  0.674  0.000  1.0
  Sr  Sr3  1  0.174  0.326  0.000  1.0
  Pr  Pr4  1  0.679  0.179  0.000  1.0
  Pr  Pr5  1  0.321  0.821  0.000  1.0
  Ga  Ga6  1  0.752  0.252  0.495  1.0
  Ga  Ga7  1  0.248  0.748  0.505  1.0
  O  O8  1  0.500  0.500  0.000  1.0
  O  O9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.217  0.999  0.284  1.0
  O  O11  1  0.499  0.717  0.284  1.0
  O  O12  1  0.004  0.504  0.290  1.0
  O  O13  1  0.706  0.206  0.290  1.0
  O  O14  1  0.783  0.001  0.716  1.0
  O  O15  1  0.501  0.283  0.716  1.0
  O  O16  1  0.996  0.496  0.710  1.0
  O  O17  1  0.294  0.794  0.710  1.0
[/CIF]
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The crystal structure described by Sr2PrGaO5 crystallizes in the orthorhombic Fmmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted q6 geometry to two equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Pr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Ga(1) is bonded in a tetrahedral geometry to two equivalent O(2) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Pr(1) atoms to form OSr4Pr2 octahedra that share corners with six equivalent O(1)Sr4Pr2 octahedra, corners with eight equivalent O(2)Sr3Pr2Ga octahedra, corners with eight equivalent O(3)Sr4PrGa octahedra, faces with four equivalent O(2)Sr3Pr2Ga octahedra, and faces with four equivalent O(3)Sr4PrGa octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the second O site, O(2) is bonded to one Sr(2), two equivalent Sr(1), two equivalent Pr(1), and one Ga(1) atom to form distorted OSr3Pr2Ga octahedra that share corners with four equivalent O(2)Sr3Pr2Ga octahedra, corners with four equivalent O(1)Sr4Pr2 octahedra, corners with six equivalent O(3)Sr4PrGa octahedra, edges with two equivalent O(2)Sr3Pr2Ga octahedra, edges with six equivalent O(3)Sr4PrGa octahedra, faces with two equivalent O(2)Sr3Pr2Ga octahedra, and faces with two equivalent O(1)Sr4Pr2 octahedra. The corner-sharing octahedral tilt angles range from 30-65°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Pr(1), and one Ga(1) atom to form distorted OSr4PrGa octahedra that share corners with four equivalent O(1)Sr4Pr2 octahedra, corners with four equivalent O(3)Sr4PrGa octahedra, corners with six equivalent O(2)Sr3Pr2Ga octahedra, edges with two equivalent O(3)Sr4PrGa octahedra, edges with six equivalent O(2)Sr3Pr2Ga octahedra, faces with two equivalent O(1)Sr4Pr2 octahedra, and faces with two equivalent O(3)Sr4PrGa octahedra. The corner-sharing octahedral tilt angles range from 30-65°. is represented by the CIF file [CIF]
data_Sr2PrGaO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.857
_cell_length_b   6.857
_cell_length_c   7.489
_cell_angle_alpha   62.658
_cell_angle_beta   62.658
_cell_angle_gamma   89.812
_symmetry_Int_Tables_number   1
_cell_volume   268.091
_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  0.250  0.250  0.500  1.0
  Sr  Sr1  1  0.750  0.750  0.500  1.0
  Sr  Sr2  1  0.826  0.674  0.000  1.0
  Sr  Sr3  1  0.174  0.326  0.000  1.0
  Pr  Pr4  1  0.679  0.179  0.000  1.0
  Pr  Pr5  1  0.321  0.821  0.000  1.0
  Ga  Ga6  1  0.752  0.252  0.495  1.0
  Ga  Ga7  1  0.248  0.748  0.505  1.0
  O  O8  1  0.500  0.500  0.000  1.0
  O  O9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.217  0.999  0.284  1.0
  O  O11  1  0.499  0.717  0.284  1.0
  O  O12  1  0.004  0.504  0.290  1.0
  O  O13  1  0.706  0.206  0.290  1.0
  O  O14  1  0.783  0.001  0.716  1.0
  O  O15  1  0.501  0.283  0.716  1.0
  O  O16  1  0.996  0.496  0.710  1.0
  O  O17  1  0.294  0.794  0.710  1.0
[/CIF]
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