The material structure described by Pr3La(GaO3)4 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. In the third Pr site, Pr(3) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles range from 24-26°. In the second Ga site, Ga(2) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles range from 24-26°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Pr(1), one La(1), and two equivalent Ga(2) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Pr(1), one La(1), and two equivalent Ga(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Pr(2), one Pr(3), and two equivalent Ga(2) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Pr(2), one Pr(3), and two equivalent Ga(1) atoms. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Pr(1), one Pr(3), one La(1), one Ga(1), and one Ga(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Pr(1), one Pr(2), one La(1), one Ga(1), and one Ga(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Pr(1), one Pr(2), one Pr(3), one Ga(1), and one Ga(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Pr(2), one Pr(3), one La(1), one Ga(1), and one Ga(2) atom. is represented by the CIF card [CIF]
data_LaPr3(GaO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.860
_cell_length_b   5.539
_cell_length_c   5.570
_cell_angle_alpha   89.977
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   242.467
_cell_formula_units_Z   1
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
  La  La0  1  0.500  0.492  0.531  1.0
  Pr  Pr1  1  0.500  0.009  0.037  1.0
  Pr  Pr2  1  0.000  0.510  0.462  1.0
  Pr  Pr3  1  0.000  0.991  0.963  1.0
  Ga  Ga4  1  0.249  0.000  0.500  1.0
  Ga  Ga5  1  0.750  0.500  0.999  1.0
  Ga  Ga6  1  0.751  0.000  0.500  1.0
  Ga  Ga7  1  0.250  0.500  0.999  1.0
  O  O8  1  0.500  0.579  0.986  1.0
  O  O9  1  0.500  0.925  0.483  1.0
  O  O10  1  0.000  0.421  0.017  1.0
  O  O11  1  0.000  0.080  0.517  1.0
  O  O12  1  0.291  0.214  0.787  1.0
  O  O13  1  0.709  0.283  0.284  1.0
  O  O14  1  0.793  0.784  0.216  1.0
  O  O15  1  0.206  0.716  0.715  1.0
  O  O16  1  0.207  0.784  0.216  1.0
  O  O17  1  0.794  0.716  0.715  1.0
  O  O18  1  0.709  0.214  0.787  1.0
  O  O19  1  0.291  0.283  0.284  1.0
[/CIF]
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The material structure described by Pr3La(GaO3)4 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. In the third Pr site, Pr(3) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles range from 24-26°. In the second Ga site, Ga(2) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles range from 24-26°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Pr(1), one La(1), and two equivalent Ga(2) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Pr(1), one La(1), and two equivalent Ga(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Pr(2), one Pr(3), and two equivalent Ga(2) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Pr(2), one Pr(3), and two equivalent Ga(1) atoms. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Pr(1), one Pr(3), one La(1), one Ga(1), and one Ga(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Pr(1), one Pr(2), one La(1), one Ga(1), and one Ga(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Pr(1), one Pr(2), one Pr(3), one Ga(1), and one Ga(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Pr(2), one Pr(3), one La(1), one Ga(1), and one Ga(2) atom. is represented by the CIF card [CIF]
data_LaPr3(GaO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.860
_cell_length_b   5.539
_cell_length_c   5.570
_cell_angle_alpha   89.977
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   242.467
_cell_formula_units_Z   1
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
  La  La0  1  0.500  0.492  0.531  1.0
  Pr  Pr1  1  0.500  0.009  0.037  1.0
  Pr  Pr2  1  0.000  0.510  0.462  1.0
  Pr  Pr3  1  0.000  0.991  0.963  1.0
  Ga  Ga4  1  0.249  0.000  0.500  1.0
  Ga  Ga5  1  0.750  0.500  0.999  1.0
  Ga  Ga6  1  0.751  0.000  0.500  1.0
  Ga  Ga7  1  0.250  0.500  0.999  1.0
  O  O8  1  0.500  0.579  0.986  1.0
  O  O9  1  0.500  0.925  0.483  1.0
  O  O10  1  0.000  0.421  0.017  1.0
  O  O11  1  0.000  0.080  0.517  1.0
  O  O12  1  0.291  0.214  0.787  1.0
  O  O13  1  0.709  0.283  0.284  1.0
  O  O14  1  0.793  0.784  0.216  1.0
  O  O15  1  0.206  0.716  0.715  1.0
  O  O16  1  0.207  0.784  0.216  1.0
  O  O17  1  0.794  0.716  0.715  1.0
  O  O18  1  0.709  0.214  0.787  1.0
  O  O19  1  0.291  0.283  0.284  1.0
[/CIF]
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