The material structure described by Gd3SmAl4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are three inequivalent Gd sites. In the first Gd site, Gd(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 Gd site, Gd(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 Gd site, Gd(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. 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 two inequivalent Al sites. In the first Al site, Al(1) 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 AlO6 octahedra. The corner-sharing octahedral tilt angles range from 24-25°. In the second Al site, Al(2) 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 AlO6 octahedra. The corner-sharing octahedral tilt angles range from 23-25°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Gd(1), one Sm(1), and two equivalent Al(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Gd(1), one Sm(1), and two equivalent Al(2) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Gd(2), one Gd(3), and two equivalent Al(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Gd(2), one Gd(3), and two equivalent Al(2) atoms. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Gd(1), one Gd(3), one Sm(1), one Al(1), and one Al(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Gd(1), one Gd(2), one Sm(1), one Al(1), and one Al(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Gd(1), one Gd(2), one Gd(3), one Al(1), and one Al(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Gd(2), one Gd(3), one Sm(1), one Al(1), and one Al(2) atom. is represented by the CIF file [CIF]
data_SmGd3Al4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.518
_cell_length_b   5.286
_cell_length_c   5.369
_cell_angle_alpha   89.896
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   213.337
_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
  Sm  Sm0  1  0.500  0.491  0.541  1.0
  Gd  Gd1  1  0.500  0.009  0.043  1.0
  Gd  Gd2  1  0.000  0.509  0.456  1.0
  Gd  Gd3  1  0.000  0.991  0.957  1.0
  Al  Al4  1  0.249  0.500  1.000  1.0
  Al  Al5  1  0.751  0.000  0.500  1.0
  Al  Al6  1  0.751  0.500  1.000  1.0
  Al  Al7  1  0.249  0.000  0.500  1.0
  O  O8  1  0.500  0.574  0.986  1.0
  O  O9  1  0.500  0.930  0.483  1.0
  O  O10  1  0.000  0.426  0.016  1.0
  O  O11  1  0.000  0.074  0.518  1.0
  O  O12  1  0.289  0.212  0.789  1.0
  O  O13  1  0.713  0.287  0.288  1.0
  O  O14  1  0.789  0.788  0.212  1.0
  O  O15  1  0.211  0.711  0.711  1.0
  O  O16  1  0.211  0.788  0.212  1.0
  O  O17  1  0.789  0.711  0.711  1.0
  O  O18  1  0.711  0.212  0.789  1.0
  O  O19  1  0.287  0.287  0.288  1.0
[/CIF]
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The material structure described by Gd3SmAl4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are three inequivalent Gd sites. In the first Gd site, Gd(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 Gd site, Gd(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 Gd site, Gd(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. 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 two inequivalent Al sites. In the first Al site, Al(1) 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 AlO6 octahedra. The corner-sharing octahedral tilt angles range from 24-25°. In the second Al site, Al(2) 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 AlO6 octahedra. The corner-sharing octahedral tilt angles range from 23-25°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Gd(1), one Sm(1), and two equivalent Al(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Gd(1), one Sm(1), and two equivalent Al(2) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Gd(2), one Gd(3), and two equivalent Al(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Gd(2), one Gd(3), and two equivalent Al(2) atoms. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Gd(1), one Gd(3), one Sm(1), one Al(1), and one Al(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Gd(1), one Gd(2), one Sm(1), one Al(1), and one Al(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Gd(1), one Gd(2), one Gd(3), one Al(1), and one Al(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Gd(2), one Gd(3), one Sm(1), one Al(1), and one Al(2) atom. is represented by the CIF file [CIF]
data_SmGd3Al4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.518
_cell_length_b   5.286
_cell_length_c   5.369
_cell_angle_alpha   89.896
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   213.337
_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
  Sm  Sm0  1  0.500  0.491  0.541  1.0
  Gd  Gd1  1  0.500  0.009  0.043  1.0
  Gd  Gd2  1  0.000  0.509  0.456  1.0
  Gd  Gd3  1  0.000  0.991  0.957  1.0
  Al  Al4  1  0.249  0.500  1.000  1.0
  Al  Al5  1  0.751  0.000  0.500  1.0
  Al  Al6  1  0.751  0.500  1.000  1.0
  Al  Al7  1  0.249  0.000  0.500  1.0
  O  O8  1  0.500  0.574  0.986  1.0
  O  O9  1  0.500  0.930  0.483  1.0
  O  O10  1  0.000  0.426  0.016  1.0
  O  O11  1  0.000  0.074  0.518  1.0
  O  O12  1  0.289  0.212  0.789  1.0
  O  O13  1  0.713  0.287  0.288  1.0
  O  O14  1  0.789  0.788  0.212  1.0
  O  O15  1  0.211  0.711  0.711  1.0
  O  O16  1  0.211  0.788  0.212  1.0
  O  O17  1  0.789  0.711  0.711  1.0
  O  O18  1  0.711  0.212  0.789  1.0
  O  O19  1  0.287  0.287  0.288  1.0
[/CIF]
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