The material structure described by SrPrCuGaO5 crystallizes in the monoclinic Cm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. Pr(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. Cu(1) is bonded to one O(1), one O(2), two equivalent O(5), and two equivalent O(6) atoms to form distorted CuO6 octahedra that share corners with four equivalent Cu(1)O6 octahedra,  a cornercorner with one Ga(1)O4 tetrahedra, and  a cornercorner with one Ga(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 4-6°. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form GaO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra and corners with two equivalent Ga(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. In the second Ga site, Ga(2) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form GaO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra and corners with two equivalent Ga(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 33°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Pr(1), one Cu(1), and one Ga(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Pr(1), one Cu(1), and one Ga(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Pr(1), one Ga(1), and one Ga(2) atom. In the fourth O site, O(4) is bonded to two equivalent Sr(1), one Ga(1), and one Ga(2) atom to form distorted corner-sharing OSr2Ga2 tetrahedra. The corner-sharing octahedral tilt angles range from 22-71°. In the fifth O site, O(5) is bonded to two equivalent Sr(1), two equivalent Pr(1), and two equivalent Cu(1) atoms to form distorted OSr2Pr2Cu2 octahedra that share corners with two equivalent O(5)Sr2Pr2Cu2 octahedra, corners with two equivalent O(4)Sr2Ga2 tetrahedra, edges with two equivalent O(5)Sr2Pr2Cu2 octahedra, and faces with four equivalent O(6)Sr2Pr2Cu2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the sixth O site, O(6) is bonded to two equivalent Sr(1), two equivalent Pr(1), and two equivalent Cu(1) atoms to form distorted OSr2Pr2Cu2 octahedra that share corners with two equivalent O(6)Sr2Pr2Cu2 octahedra, corners with two equivalent O(4)Sr2Ga2 tetrahedra, edges with two equivalent O(6)Sr2Pr2Cu2 octahedra, and faces with four equivalent O(5)Sr2Pr2Cu2 octahedra. The corner-sharing octahedral tilt angles are 1°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrPrGaCuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.132
_cell_length_b   9.132
_cell_length_c   5.358
_cell_angle_alpha   72.972
_cell_angle_beta   72.972
_cell_angle_gamma   129.805
_symmetry_Int_Tables_number   1
_cell_volume   248.334
_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  0.403  0.124  0.491  1.0
  Sr  Sr1  1  0.124  0.403  0.491  1.0
  Pr  Pr2  1  0.574  0.871  0.536  1.0
  Pr  Pr3  1  0.871  0.574  0.536  1.0
  Ga  Ga4  1  0.186  0.186  0.106  1.0
  Ga  Ga5  1  0.819  0.819  0.963  1.0
  Cu  Cu6  1  0.496  0.995  0.009  1.0
  Cu  Cu7  1  0.995  0.496  0.009  1.0
  O  O8  1  0.422  0.226  0.896  1.0
  O  O9  1  0.601  0.802  0.005  1.0
  O  O10  1  0.226  0.422  0.896  1.0
  O  O11  1  0.802  0.601  0.005  1.0
  O  O12  1  0.868  0.868  0.277  1.0
  O  O13  1  0.130  0.130  0.512  1.0
  O  O14  1  0.753  0.245  0.507  1.0
  O  O15  1  0.236  0.749  0.014  1.0
  O  O16  1  0.245  0.753  0.507  1.0
  O  O17  1  0.749  0.236  0.014  1.0
[/CIF]
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The material structure described by SrPrCuGaO5 crystallizes in the monoclinic Cm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. Pr(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. Cu(1) is bonded to one O(1), one O(2), two equivalent O(5), and two equivalent O(6) atoms to form distorted CuO6 octahedra that share corners with four equivalent Cu(1)O6 octahedra,  a cornercorner with one Ga(1)O4 tetrahedra, and  a cornercorner with one Ga(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 4-6°. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form GaO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra and corners with two equivalent Ga(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. In the second Ga site, Ga(2) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form GaO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra and corners with two equivalent Ga(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 33°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Pr(1), one Cu(1), and one Ga(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Pr(1), one Cu(1), and one Ga(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Pr(1), one Ga(1), and one Ga(2) atom. In the fourth O site, O(4) is bonded to two equivalent Sr(1), one Ga(1), and one Ga(2) atom to form distorted corner-sharing OSr2Ga2 tetrahedra. The corner-sharing octahedral tilt angles range from 22-71°. In the fifth O site, O(5) is bonded to two equivalent Sr(1), two equivalent Pr(1), and two equivalent Cu(1) atoms to form distorted OSr2Pr2Cu2 octahedra that share corners with two equivalent O(5)Sr2Pr2Cu2 octahedra, corners with two equivalent O(4)Sr2Ga2 tetrahedra, edges with two equivalent O(5)Sr2Pr2Cu2 octahedra, and faces with four equivalent O(6)Sr2Pr2Cu2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the sixth O site, O(6) is bonded to two equivalent Sr(1), two equivalent Pr(1), and two equivalent Cu(1) atoms to form distorted OSr2Pr2Cu2 octahedra that share corners with two equivalent O(6)Sr2Pr2Cu2 octahedra, corners with two equivalent O(4)Sr2Ga2 tetrahedra, edges with two equivalent O(6)Sr2Pr2Cu2 octahedra, and faces with four equivalent O(5)Sr2Pr2Cu2 octahedra. The corner-sharing octahedral tilt angles are 1°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrPrGaCuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.132
_cell_length_b   9.132
_cell_length_c   5.358
_cell_angle_alpha   72.972
_cell_angle_beta   72.972
_cell_angle_gamma   129.805
_symmetry_Int_Tables_number   1
_cell_volume   248.334
_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  0.403  0.124  0.491  1.0
  Sr  Sr1  1  0.124  0.403  0.491  1.0
  Pr  Pr2  1  0.574  0.871  0.536  1.0
  Pr  Pr3  1  0.871  0.574  0.536  1.0
  Ga  Ga4  1  0.186  0.186  0.106  1.0
  Ga  Ga5  1  0.819  0.819  0.963  1.0
  Cu  Cu6  1  0.496  0.995  0.009  1.0
  Cu  Cu7  1  0.995  0.496  0.009  1.0
  O  O8  1  0.422  0.226  0.896  1.0
  O  O9  1  0.601  0.802  0.005  1.0
  O  O10  1  0.226  0.422  0.896  1.0
  O  O11  1  0.802  0.601  0.005  1.0
  O  O12  1  0.868  0.868  0.277  1.0
  O  O13  1  0.130  0.130  0.512  1.0
  O  O14  1  0.753  0.245  0.507  1.0
  O  O15  1  0.236  0.749  0.014  1.0
  O  O16  1  0.245  0.753  0.507  1.0
  O  O17  1  0.749  0.236  0.014  1.0
[/CIF]
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