The material structure described by SmNd3(GaO3)4 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. Sm(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 three inequivalent Nd sites. In the first Nd site, Nd(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 Nd site, Nd(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 Nd site, Nd(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. 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 28-31°. 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 28-30°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Sm(1), one Nd(1), and two equivalent Ga(2) atoms to form distorted ONdSmGa2 tetrahedra that share corners with two equivalent O(3)Nd2Ga2 tetrahedra and corners with two equivalent O(2)NdSmGa2 tetrahedra. In the second O site, O(2) is bonded to one Sm(1), one Nd(1), and two equivalent Ga(1) atoms to form distorted ONdSmGa2 tetrahedra that share corners with two equivalent O(4)Nd2Ga2 tetrahedra and corners with two equivalent O(1)NdSmGa2 tetrahedra. In the third O site, O(3) is bonded to one Nd(2), one Nd(3), and two equivalent Ga(2) atoms to form distorted ONd2Ga2 tetrahedra that share corners with two equivalent O(4)Nd2Ga2 tetrahedra and corners with two equivalent O(1)NdSmGa2 tetrahedra. In the fourth O site, O(4) is bonded to one Nd(2), one Nd(3), and two equivalent Ga(1) atoms to form distorted ONd2Ga2 tetrahedra that share corners with two equivalent O(3)Nd2Ga2 tetrahedra and corners with two equivalent O(2)NdSmGa2 tetrahedra. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Sm(1), one Nd(1), one Nd(3), one Ga(1), and one Ga(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Sm(1), one Nd(1), one Nd(2), one Ga(1), and one Ga(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Nd(1), one Nd(2), one Nd(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 Sm(1), one Nd(2), one Nd(3), one Ga(1), and one Ga(2) atom. is represented by the CIF file [CIF]
data_Nd3Sm(GaO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.793
_cell_length_b   5.462
_cell_length_c   5.611
_cell_angle_alpha   89.926
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   238.822
_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
  Nd  Nd0  1  0.000  0.013  0.948  1.0
  Nd  Nd1  1  0.500  0.513  0.551  1.0
  Nd  Nd2  1  0.500  0.986  0.053  1.0
  Sm  Sm3  1  0.000  0.485  0.444  1.0
  Ga  Ga4  1  0.249  1.000  0.500  1.0
  Ga  Ga5  1  0.751  0.500  0.999  1.0
  Ga  Ga6  1  0.751  1.000  0.500  1.0
  Ga  Ga7  1  0.249  0.500  0.999  1.0
  O  O8  1  0.000  0.588  0.028  1.0
  O  O9  1  0.000  0.905  0.523  1.0
  O  O10  1  0.500  0.412  0.977  1.0
  O  O11  1  0.500  0.087  0.478  1.0
  O  O12  1  0.202  0.209  0.208  1.0
  O  O13  1  0.800  0.294  0.705  1.0
  O  O14  1  0.704  0.793  0.794  1.0
  O  O15  1  0.296  0.708  0.293  1.0
  O  O16  1  0.296  0.793  0.794  1.0
  O  O17  1  0.704  0.708  0.293  1.0
  O  O18  1  0.798  0.209  0.208  1.0
  O  O19  1  0.200  0.294  0.705  1.0
[/CIF]
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The material structure described by SmNd3(GaO3)4 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. Sm(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 three inequivalent Nd sites. In the first Nd site, Nd(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 Nd site, Nd(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 Nd site, Nd(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. 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 28-31°. 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 28-30°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Sm(1), one Nd(1), and two equivalent Ga(2) atoms to form distorted ONdSmGa2 tetrahedra that share corners with two equivalent O(3)Nd2Ga2 tetrahedra and corners with two equivalent O(2)NdSmGa2 tetrahedra. In the second O site, O(2) is bonded to one Sm(1), one Nd(1), and two equivalent Ga(1) atoms to form distorted ONdSmGa2 tetrahedra that share corners with two equivalent O(4)Nd2Ga2 tetrahedra and corners with two equivalent O(1)NdSmGa2 tetrahedra. In the third O site, O(3) is bonded to one Nd(2), one Nd(3), and two equivalent Ga(2) atoms to form distorted ONd2Ga2 tetrahedra that share corners with two equivalent O(4)Nd2Ga2 tetrahedra and corners with two equivalent O(1)NdSmGa2 tetrahedra. In the fourth O site, O(4) is bonded to one Nd(2), one Nd(3), and two equivalent Ga(1) atoms to form distorted ONd2Ga2 tetrahedra that share corners with two equivalent O(3)Nd2Ga2 tetrahedra and corners with two equivalent O(2)NdSmGa2 tetrahedra. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Sm(1), one Nd(1), one Nd(3), one Ga(1), and one Ga(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Sm(1), one Nd(1), one Nd(2), one Ga(1), and one Ga(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Nd(1), one Nd(2), one Nd(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 Sm(1), one Nd(2), one Nd(3), one Ga(1), and one Ga(2) atom. is represented by the CIF file [CIF]
data_Nd3Sm(GaO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.793
_cell_length_b   5.462
_cell_length_c   5.611
_cell_angle_alpha   89.926
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   238.822
_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
  Nd  Nd0  1  0.000  0.013  0.948  1.0
  Nd  Nd1  1  0.500  0.513  0.551  1.0
  Nd  Nd2  1  0.500  0.986  0.053  1.0
  Sm  Sm3  1  0.000  0.485  0.444  1.0
  Ga  Ga4  1  0.249  1.000  0.500  1.0
  Ga  Ga5  1  0.751  0.500  0.999  1.0
  Ga  Ga6  1  0.751  1.000  0.500  1.0
  Ga  Ga7  1  0.249  0.500  0.999  1.0
  O  O8  1  0.000  0.588  0.028  1.0
  O  O9  1  0.000  0.905  0.523  1.0
  O  O10  1  0.500  0.412  0.977  1.0
  O  O11  1  0.500  0.087  0.478  1.0
  O  O12  1  0.202  0.209  0.208  1.0
  O  O13  1  0.800  0.294  0.705  1.0
  O  O14  1  0.704  0.793  0.794  1.0
  O  O15  1  0.296  0.708  0.293  1.0
  O  O16  1  0.296  0.793  0.794  1.0
  O  O17  1  0.704  0.708  0.293  1.0
  O  O18  1  0.798  0.209  0.208  1.0
  O  O19  1  0.200  0.294  0.705  1.0
[/CIF]
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