The structure described by SrCaGdBiO6 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. Ca(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form GdO6 octahedra that share corners with two equivalent Bi(2)O6 octahedra and corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-39°. In the second Gd site, Gd(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form GdO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra and corners with four equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-37°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form BiO6 octahedra that share corners with two equivalent Gd(2)O6 octahedra and corners with four equivalent Gd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-38°. In the second Bi site, Bi(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form BiO6 octahedra that share corners with two equivalent Gd(1)O6 octahedra and corners with four equivalent Gd(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-39°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Ca(1), one Gd(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Ca(1), one Gd(2), and one Bi(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Ca(1), one Gd(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Ca(1), one Gd(2), and one Bi(2) atom. In the fifth O site, O(5) is bonded to one Sr(1), one Ca(1), one Gd(1), and one Bi(2) atom to form distorted corner-sharing OSrCaGdBi tetrahedra. In the sixth O site, O(6) is bonded to one Sr(1), one Ca(1), one Gd(2), and one Bi(1) atom to form distorted corner-sharing OSrCaGdBi tetrahedra. is represented by the CIF file [CIF]
data_SrCaGdBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.885
_cell_length_b   6.070
_cell_length_c   8.466
_cell_angle_alpha   89.932
_cell_angle_beta   89.721
_cell_angle_gamma   89.954
_symmetry_Int_Tables_number   1
_cell_volume   302.389
_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  0.511  0.551  0.250  1.0
  Sr  Sr1  1  0.489  0.449  0.750  1.0
  Ca  Ca2  1  0.985  0.050  0.248  1.0
  Ca  Ca3  1  0.015  0.950  0.752  1.0
  Gd  Gd4  1  0.500  0.000  0.000  1.0
  Gd  Gd5  1  0.000  0.500  0.500  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  0.183  0.204  0.936  1.0
  O  O9  1  0.312  0.708  0.556  1.0
  O  O10  1  0.817  0.796  0.064  1.0
  O  O11  1  0.688  0.292  0.444  1.0
  O  O12  1  0.294  0.694  0.948  1.0
  O  O13  1  0.205  0.189  0.565  1.0
  O  O14  1  0.706  0.306  0.052  1.0
  O  O15  1  0.795  0.811  0.435  1.0
  O  O16  1  0.378  0.964  0.260  1.0
  O  O17  1  0.100  0.441  0.241  1.0
  O  O18  1  0.622  0.036  0.740  1.0
  O  O19  1  0.900  0.559  0.759  1.0
[/CIF]
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The structure described by SrCaGdBiO6 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. Ca(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form GdO6 octahedra that share corners with two equivalent Bi(2)O6 octahedra and corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-39°. In the second Gd site, Gd(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form GdO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra and corners with four equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-37°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form BiO6 octahedra that share corners with two equivalent Gd(2)O6 octahedra and corners with four equivalent Gd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-38°. In the second Bi site, Bi(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form BiO6 octahedra that share corners with two equivalent Gd(1)O6 octahedra and corners with four equivalent Gd(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-39°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Ca(1), one Gd(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Ca(1), one Gd(2), and one Bi(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Ca(1), one Gd(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Ca(1), one Gd(2), and one Bi(2) atom. In the fifth O site, O(5) is bonded to one Sr(1), one Ca(1), one Gd(1), and one Bi(2) atom to form distorted corner-sharing OSrCaGdBi tetrahedra. In the sixth O site, O(6) is bonded to one Sr(1), one Ca(1), one Gd(2), and one Bi(1) atom to form distorted corner-sharing OSrCaGdBi tetrahedra. is represented by the CIF file [CIF]
data_SrCaGdBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.885
_cell_length_b   6.070
_cell_length_c   8.466
_cell_angle_alpha   89.932
_cell_angle_beta   89.721
_cell_angle_gamma   89.954
_symmetry_Int_Tables_number   1
_cell_volume   302.389
_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  0.511  0.551  0.250  1.0
  Sr  Sr1  1  0.489  0.449  0.750  1.0
  Ca  Ca2  1  0.985  0.050  0.248  1.0
  Ca  Ca3  1  0.015  0.950  0.752  1.0
  Gd  Gd4  1  0.500  0.000  0.000  1.0
  Gd  Gd5  1  0.000  0.500  0.500  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  0.183  0.204  0.936  1.0
  O  O9  1  0.312  0.708  0.556  1.0
  O  O10  1  0.817  0.796  0.064  1.0
  O  O11  1  0.688  0.292  0.444  1.0
  O  O12  1  0.294  0.694  0.948  1.0
  O  O13  1  0.205  0.189  0.565  1.0
  O  O14  1  0.706  0.306  0.052  1.0
  O  O15  1  0.795  0.811  0.435  1.0
  O  O16  1  0.378  0.964  0.260  1.0
  O  O17  1  0.100  0.441  0.241  1.0
  O  O18  1  0.622  0.036  0.740  1.0
  O  O19  1  0.900  0.559  0.759  1.0
[/CIF]
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