The material structure described by SrGd2O4 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to one O(4), two equivalent O(2), and three equivalent O(3) atoms to form a mixture of edge and corner-sharing GdO6 octahedra. The corner-sharing octahedral tilt angles range from 51-66°. In the second Gd site, Gd(2) is bonded to one O(2), two equivalent O(4), and three equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing GdO6 octahedra. The corner-sharing octahedral tilt angles range from 51-66°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1) and three equivalent Gd(2) atoms to form a mixture of distorted edge and corner-sharing OSr2Gd3 trigonal bipyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Gd(2), and two equivalent Gd(1) atoms. In the third O site, O(3) is bonded to two equivalent Sr(1) and three equivalent Gd(1) atoms to form a mixture of edge and corner-sharing OSr2Gd3 square pyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Gd(1), and two equivalent Gd(2) atoms. is represented by the CIF card [CIF]
data_SrGd2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.469
_cell_length_b   10.145
_cell_length_c   12.068
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   424.732
_cell_formula_units_Z   4
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  0.750  0.749  0.149  1.0
  Sr  Sr1  1  0.250  0.251  0.851  1.0
  Sr  Sr2  1  0.750  0.249  0.351  1.0
  Sr  Sr3  1  0.250  0.751  0.649  1.0
  Gd  Gd4  1  0.250  0.425  0.112  1.0
  Gd  Gd5  1  0.750  0.575  0.888  1.0
  Gd  Gd6  1  0.250  0.925  0.388  1.0
  Gd  Gd7  1  0.750  0.075  0.612  1.0
  Gd  Gd8  1  0.750  0.081  0.111  1.0
  Gd  Gd9  1  0.250  0.919  0.889  1.0
  Gd  Gd10  1  0.750  0.581  0.389  1.0
  Gd  Gd11  1  0.250  0.419  0.611  1.0
  O  O12  1  0.250  0.427  0.421  1.0
  O  O13  1  0.750  0.573  0.579  1.0
  O  O14  1  0.250  0.927  0.079  1.0
  O  O15  1  0.750  0.073  0.921  1.0
  O  O16  1  0.250  0.511  0.784  1.0
  O  O17  1  0.750  0.489  0.216  1.0
  O  O18  1  0.250  0.011  0.716  1.0
  O  O19  1  0.750  0.989  0.284  1.0
  O  O20  1  0.250  0.130  0.481  1.0
  O  O21  1  0.750  0.870  0.519  1.0
  O  O22  1  0.250  0.630  0.019  1.0
  O  O23  1  0.750  0.370  0.981  1.0
  O  O24  1  0.750  0.286  0.680  1.0
  O  O25  1  0.250  0.714  0.320  1.0
  O  O26  1  0.750  0.786  0.820  1.0
  O  O27  1  0.250  0.214  0.180  1.0
[/CIF]
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The material structure described by SrGd2O4 crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to one O(4), two equivalent O(2), and three equivalent O(3) atoms to form a mixture of edge and corner-sharing GdO6 octahedra. The corner-sharing octahedral tilt angles range from 51-66°. In the second Gd site, Gd(2) is bonded to one O(2), two equivalent O(4), and three equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing GdO6 octahedra. The corner-sharing octahedral tilt angles range from 51-66°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1) and three equivalent Gd(2) atoms to form a mixture of distorted edge and corner-sharing OSr2Gd3 trigonal bipyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Gd(2), and two equivalent Gd(1) atoms. In the third O site, O(3) is bonded to two equivalent Sr(1) and three equivalent Gd(1) atoms to form a mixture of edge and corner-sharing OSr2Gd3 square pyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Gd(1), and two equivalent Gd(2) atoms. is represented by the CIF card [CIF]
data_SrGd2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.469
_cell_length_b   10.145
_cell_length_c   12.068
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   424.732
_cell_formula_units_Z   4
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  0.750  0.749  0.149  1.0
  Sr  Sr1  1  0.250  0.251  0.851  1.0
  Sr  Sr2  1  0.750  0.249  0.351  1.0
  Sr  Sr3  1  0.250  0.751  0.649  1.0
  Gd  Gd4  1  0.250  0.425  0.112  1.0
  Gd  Gd5  1  0.750  0.575  0.888  1.0
  Gd  Gd6  1  0.250  0.925  0.388  1.0
  Gd  Gd7  1  0.750  0.075  0.612  1.0
  Gd  Gd8  1  0.750  0.081  0.111  1.0
  Gd  Gd9  1  0.250  0.919  0.889  1.0
  Gd  Gd10  1  0.750  0.581  0.389  1.0
  Gd  Gd11  1  0.250  0.419  0.611  1.0
  O  O12  1  0.250  0.427  0.421  1.0
  O  O13  1  0.750  0.573  0.579  1.0
  O  O14  1  0.250  0.927  0.079  1.0
  O  O15  1  0.750  0.073  0.921  1.0
  O  O16  1  0.250  0.511  0.784  1.0
  O  O17  1  0.750  0.489  0.216  1.0
  O  O18  1  0.250  0.011  0.716  1.0
  O  O19  1  0.750  0.989  0.284  1.0
  O  O20  1  0.250  0.130  0.481  1.0
  O  O21  1  0.750  0.870  0.519  1.0
  O  O22  1  0.250  0.630  0.019  1.0
  O  O23  1  0.750  0.370  0.981  1.0
  O  O24  1  0.750  0.286  0.680  1.0
  O  O25  1  0.250  0.714  0.320  1.0
  O  O26  1  0.750  0.786  0.820  1.0
  O  O27  1  0.250  0.214  0.180  1.0
[/CIF]
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