The material structure described by SrCaGdNbO6 crystallizes in the tetragonal P-4n2 space group. Sr(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Ca(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Gd(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form GdO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-34°. Nb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NbO6 octahedra that share corners with six equivalent Gd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-34°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Ca(1), one Gd(1), and one Nb(1) atom to form a mixture of distorted edge and corner-sharing OSr2Ca2GdNb octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(1), one Gd(1), and one Nb(1) atom. is represented by the CIF file [CIF]
data_SrCaGdNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.822
_cell_length_b   5.822
_cell_length_c   8.531
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   289.137
_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  0.500  0.000  0.250  1.0
  Sr  Sr1  1  0.000  0.500  0.750  1.0
  Ca  Ca2  1  0.000  0.500  0.250  1.0
  Ca  Ca3  1  0.500  0.000  0.750  1.0
  Gd  Gd4  1  0.000  0.000  0.000  1.0
  Gd  Gd5  1  0.500  0.500  0.500  1.0
  Nb  Nb6  1  0.000  0.000  0.500  1.0
  Nb  Nb7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.000  0.000  0.263  1.0
  O  O9  1  0.500  0.500  0.237  1.0
  O  O10  1  0.000  0.000  0.737  1.0
  O  O11  1  0.500  0.500  0.763  1.0
  O  O12  1  0.340  0.193  0.985  1.0
  O  O13  1  0.660  0.807  0.985  1.0
  O  O14  1  0.807  0.340  0.015  1.0
  O  O15  1  0.193  0.660  0.015  1.0
  O  O16  1  0.840  0.307  0.485  1.0
  O  O17  1  0.160  0.693  0.485  1.0
  O  O18  1  0.307  0.160  0.515  1.0
  O  O19  1  0.693  0.840  0.515  1.0
[/CIF]
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The material structure described by SrCaGdNbO6 crystallizes in the tetragonal P-4n2 space group. Sr(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Ca(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Gd(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form GdO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-34°. Nb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NbO6 octahedra that share corners with six equivalent Gd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-34°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Ca(1), one Gd(1), and one Nb(1) atom to form a mixture of distorted edge and corner-sharing OSr2Ca2GdNb octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(1), one Gd(1), and one Nb(1) atom. is represented by the CIF file [CIF]
data_SrCaGdNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.822
_cell_length_b   5.822
_cell_length_c   8.531
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   289.137
_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  0.500  0.000  0.250  1.0
  Sr  Sr1  1  0.000  0.500  0.750  1.0
  Ca  Ca2  1  0.000  0.500  0.250  1.0
  Ca  Ca3  1  0.500  0.000  0.750  1.0
  Gd  Gd4  1  0.000  0.000  0.000  1.0
  Gd  Gd5  1  0.500  0.500  0.500  1.0
  Nb  Nb6  1  0.000  0.000  0.500  1.0
  Nb  Nb7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.000  0.000  0.263  1.0
  O  O9  1  0.500  0.500  0.237  1.0
  O  O10  1  0.000  0.000  0.737  1.0
  O  O11  1  0.500  0.500  0.763  1.0
  O  O12  1  0.340  0.193  0.985  1.0
  O  O13  1  0.660  0.807  0.985  1.0
  O  O14  1  0.807  0.340  0.015  1.0
  O  O15  1  0.193  0.660  0.015  1.0
  O  O16  1  0.840  0.307  0.485  1.0
  O  O17  1  0.160  0.693  0.485  1.0
  O  O18  1  0.307  0.160  0.515  1.0
  O  O19  1  0.693  0.840  0.515  1.0
[/CIF]
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