The compound described by BaSrGdNbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(6), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. Sr(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(6) atoms to form GdO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-24°. In the second Gd site, Gd(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form GdO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with four equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-25°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form NbO6 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 22-25°. In the second Nb site, Nb(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form NbO6 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 21-24°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Sr(1), one Gd(1), and one Nb(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Gd(2), and one Nb(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Gd(1), and one Nb(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Sr(1), one Gd(2), and one Nb(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Gd(2), and one Nb(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Sr(1), one Gd(1), and one Nb(2) atom. is represented by the CIF card [CIF]
data_BaSrGdNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.991
_cell_length_b   6.026
_cell_length_c   8.496
_cell_angle_alpha   90.306
_cell_angle_beta   90.238
_cell_angle_gamma   90.259
_symmetry_Int_Tables_number   1
_cell_volume   306.741
_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
  Ba  Ba0  1  0.506  0.526  0.250  1.0
  Ba  Ba1  1  0.494  0.474  0.750  1.0
  Sr  Sr2  1  0.994  0.032  0.251  1.0
  Sr  Sr3  1  0.006  0.968  0.749  1.0
  Gd  Gd4  1  0.000  0.500  0.000  1.0
  Gd  Gd5  1  0.500  0.000  0.500  1.0
  Nb  Nb6  1  0.500  0.000  0.000  1.0
  Nb  Nb7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.230  0.198  0.961  1.0
  O  O9  1  0.264  0.705  0.534  1.0
  O  O10  1  0.770  0.802  0.039  1.0
  O  O11  1  0.736  0.295  0.466  1.0
  O  O12  1  0.297  0.734  0.964  1.0
  O  O13  1  0.196  0.227  0.538  1.0
  O  O14  1  0.703  0.266  0.036  1.0
  O  O15  1  0.804  0.773  0.462  1.0
  O  O16  1  0.423  0.992  0.234  1.0
  O  O17  1  0.062  0.478  0.266  1.0
  O  O18  1  0.577  0.008  0.766  1.0
  O  O19  1  0.938  0.522  0.734  1.0
[/CIF]
.
The compound described by BaSrGdNbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(6), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. Sr(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(6) atoms to form GdO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-24°. In the second Gd site, Gd(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form GdO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with four equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-25°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form NbO6 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 22-25°. In the second Nb site, Nb(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form NbO6 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 21-24°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Sr(1), one Gd(1), and one Nb(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Gd(2), and one Nb(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Gd(1), and one Nb(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Sr(1), one Gd(2), and one Nb(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Gd(2), and one Nb(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Sr(1), one Gd(1), and one Nb(2) atom. is represented by the CIF card [CIF]
data_BaSrGdNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.991
_cell_length_b   6.026
_cell_length_c   8.496
_cell_angle_alpha   90.306
_cell_angle_beta   90.238
_cell_angle_gamma   90.259
_symmetry_Int_Tables_number   1
_cell_volume   306.741
_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
  Ba  Ba0  1  0.506  0.526  0.250  1.0
  Ba  Ba1  1  0.494  0.474  0.750  1.0
  Sr  Sr2  1  0.994  0.032  0.251  1.0
  Sr  Sr3  1  0.006  0.968  0.749  1.0
  Gd  Gd4  1  0.000  0.500  0.000  1.0
  Gd  Gd5  1  0.500  0.000  0.500  1.0
  Nb  Nb6  1  0.500  0.000  0.000  1.0
  Nb  Nb7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.230  0.198  0.961  1.0
  O  O9  1  0.264  0.705  0.534  1.0
  O  O10  1  0.770  0.802  0.039  1.0
  O  O11  1  0.736  0.295  0.466  1.0
  O  O12  1  0.297  0.734  0.964  1.0
  O  O13  1  0.196  0.227  0.538  1.0
  O  O14  1  0.703  0.266  0.036  1.0
  O  O15  1  0.804  0.773  0.462  1.0
  O  O16  1  0.423  0.992  0.234  1.0
  O  O17  1  0.062  0.478  0.266  1.0
  O  O18  1  0.577  0.008  0.766  1.0
  O  O19  1  0.938  0.522  0.734  1.0
[/CIF]
.