The structure described by SrCaGdBiO6 crystallizes in the orthorhombic Cccm 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(3) atoms. Gd(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form GdO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-35°. Bi(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form BiO6 octahedra that share corners with six equivalent Gd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-35°. There are three 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 Bi(1) atom to form distorted OSr2Ca2GdBi octahedra that share corners with six equivalent O(1)Sr2Ca2GdBi octahedra, corners with four equivalent O(3)Ca2GdBi tetrahedra, corners with four equivalent O(2)Sr2GdBi tetrahedra, edges with four equivalent O(1)Sr2Ca2GdBi octahedra, edges with four equivalent O(3)Ca2GdBi tetrahedra, and edges with four equivalent O(2)Sr2GdBi tetrahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) is bonded to two equivalent Sr(1), one Gd(1), and one Bi(1) atom to form distorted OSr2GdBi tetrahedra that share corners with four equivalent O(1)Sr2Ca2GdBi octahedra, corners with four equivalent O(3)Ca2GdBi tetrahedra, corners with six equivalent O(2)Sr2GdBi tetrahedra, edges with four equivalent O(1)Sr2Ca2GdBi octahedra, and  an edgeedge with one O(2)Sr2GdBi tetrahedra. The corner-sharing octahedral tilt angles range from 66-67°. In the third O site, O(3) is bonded to two equivalent Ca(1), one Gd(1), and one Bi(1) atom to form distorted OCa2GdBi tetrahedra that share corners with four equivalent O(1)Sr2Ca2GdBi octahedra, corners with four equivalent O(2)Sr2GdBi tetrahedra, corners with six equivalent O(3)Ca2GdBi tetrahedra, edges with four equivalent O(1)Sr2Ca2GdBi octahedra, and  an edgeedge with one O(3)Ca2GdBi tetrahedra. The corner-sharing octahedral tilt angles range from 67-68°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrCaGdBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.966
_cell_length_b   5.966
_cell_length_c   8.658
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.392
_symmetry_Int_Tables_number   1
_cell_volume   308.186
_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  0.500  0.250  1.0
  Sr  Sr1  1  0.500  0.500  0.750  1.0
  Ca  Ca2  1  0.000  0.000  0.250  1.0
  Ca  Ca3  1  0.000  0.000  0.750  1.0
  Gd  Gd4  1  0.000  0.500  0.500  1.0
  Gd  Gd5  1  0.500  0.000  0.000  1.0
  Bi  Bi6  1  0.000  0.500  0.000  1.0
  Bi  Bi7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.000  0.500  0.244  1.0
  O  O9  1  0.500  0.000  0.256  1.0
  O  O10  1  0.000  0.500  0.756  1.0
  O  O11  1  0.500  0.000  0.744  1.0
  O  O12  1  0.317  0.665  0.000  1.0
  O  O13  1  0.683  0.335  0.000  1.0
  O  O14  1  0.840  0.821  0.000  1.0
  O  O15  1  0.160  0.179  0.000  1.0
  O  O16  1  0.821  0.840  0.500  1.0
  O  O17  1  0.179  0.160  0.500  1.0
  O  O18  1  0.335  0.683  0.500  1.0
  O  O19  1  0.665  0.317  0.500  1.0
[/CIF]
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The structure described by SrCaGdBiO6 crystallizes in the orthorhombic Cccm 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(3) atoms. Gd(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form GdO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-35°. Bi(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form BiO6 octahedra that share corners with six equivalent Gd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-35°. There are three 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 Bi(1) atom to form distorted OSr2Ca2GdBi octahedra that share corners with six equivalent O(1)Sr2Ca2GdBi octahedra, corners with four equivalent O(3)Ca2GdBi tetrahedra, corners with four equivalent O(2)Sr2GdBi tetrahedra, edges with four equivalent O(1)Sr2Ca2GdBi octahedra, edges with four equivalent O(3)Ca2GdBi tetrahedra, and edges with four equivalent O(2)Sr2GdBi tetrahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) is bonded to two equivalent Sr(1), one Gd(1), and one Bi(1) atom to form distorted OSr2GdBi tetrahedra that share corners with four equivalent O(1)Sr2Ca2GdBi octahedra, corners with four equivalent O(3)Ca2GdBi tetrahedra, corners with six equivalent O(2)Sr2GdBi tetrahedra, edges with four equivalent O(1)Sr2Ca2GdBi octahedra, and  an edgeedge with one O(2)Sr2GdBi tetrahedra. The corner-sharing octahedral tilt angles range from 66-67°. In the third O site, O(3) is bonded to two equivalent Ca(1), one Gd(1), and one Bi(1) atom to form distorted OCa2GdBi tetrahedra that share corners with four equivalent O(1)Sr2Ca2GdBi octahedra, corners with four equivalent O(2)Sr2GdBi tetrahedra, corners with six equivalent O(3)Ca2GdBi tetrahedra, edges with four equivalent O(1)Sr2Ca2GdBi octahedra, and  an edgeedge with one O(3)Ca2GdBi tetrahedra. The corner-sharing octahedral tilt angles range from 67-68°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrCaGdBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.966
_cell_length_b   5.966
_cell_length_c   8.658
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.392
_symmetry_Int_Tables_number   1
_cell_volume   308.186
_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  0.500  0.250  1.0
  Sr  Sr1  1  0.500  0.500  0.750  1.0
  Ca  Ca2  1  0.000  0.000  0.250  1.0
  Ca  Ca3  1  0.000  0.000  0.750  1.0
  Gd  Gd4  1  0.000  0.500  0.500  1.0
  Gd  Gd5  1  0.500  0.000  0.000  1.0
  Bi  Bi6  1  0.000  0.500  0.000  1.0
  Bi  Bi7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.000  0.500  0.244  1.0
  O  O9  1  0.500  0.000  0.256  1.0
  O  O10  1  0.000  0.500  0.756  1.0
  O  O11  1  0.500  0.000  0.744  1.0
  O  O12  1  0.317  0.665  0.000  1.0
  O  O13  1  0.683  0.335  0.000  1.0
  O  O14  1  0.840  0.821  0.000  1.0
  O  O15  1  0.160  0.179  0.000  1.0
  O  O16  1  0.821  0.840  0.500  1.0
  O  O17  1  0.179  0.160  0.500  1.0
  O  O18  1  0.335  0.683  0.500  1.0
  O  O19  1  0.665  0.317  0.500  1.0
[/CIF]
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