The crystal structure described by Ba2MgPrSbO6 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. Pr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form PrO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-37°. Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted SbO6 octahedra that share corners with six equivalent Pr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-37°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(1), one Pr(1), and one Sb(1) atom. In the second O site, O(2) is bonded to two equivalent Ba(1), one Mg(1), one Pr(1), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing OBa2PrMgSb trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Ba(1), one Mg(1), one Pr(1), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing OBa2PrMgSb trigonal bipyramids. is represented by the CIF card [CIF]
data_Ba2PrMgSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.728
_cell_length_b   6.510
_cell_length_c   7.116
_cell_angle_alpha   57.010
_cell_angle_beta   53.736
_cell_angle_gamma   59.100
_symmetry_Int_Tables_number   1
_cell_volume   202.134
_cell_formula_units_Z   1
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  0.699  0.730  0.694  1.0
  Ba  Ba1  1  0.301  0.270  0.306  1.0
  Pr  Pr2  1  0.000  0.000  0.000  1.0
  Mg  Mg3  1  0.000  0.500  0.000  1.0
  Sb  Sb4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.655  0.275  0.853  1.0
  O  O6  1  0.223  0.773  0.725  1.0
  O  O7  1  0.855  0.631  0.265  1.0
  O  O8  1  0.345  0.725  0.147  1.0
  O  O9  1  0.145  0.369  0.735  1.0
  O  O10  1  0.777  0.227  0.275  1.0
[/CIF]
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The crystal structure described by Ba2MgPrSbO6 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. Pr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form PrO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-37°. Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted SbO6 octahedra that share corners with six equivalent Pr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-37°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(1), one Pr(1), and one Sb(1) atom. In the second O site, O(2) is bonded to two equivalent Ba(1), one Mg(1), one Pr(1), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing OBa2PrMgSb trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Ba(1), one Mg(1), one Pr(1), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing OBa2PrMgSb trigonal bipyramids. is represented by the CIF card [CIF]
data_Ba2PrMgSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.728
_cell_length_b   6.510
_cell_length_c   7.116
_cell_angle_alpha   57.010
_cell_angle_beta   53.736
_cell_angle_gamma   59.100
_symmetry_Int_Tables_number   1
_cell_volume   202.134
_cell_formula_units_Z   1
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  0.699  0.730  0.694  1.0
  Ba  Ba1  1  0.301  0.270  0.306  1.0
  Pr  Pr2  1  0.000  0.000  0.000  1.0
  Mg  Mg3  1  0.000  0.500  0.000  1.0
  Sb  Sb4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.655  0.275  0.853  1.0
  O  O6  1  0.223  0.773  0.725  1.0
  O  O7  1  0.855  0.631  0.265  1.0
  O  O8  1  0.345  0.725  0.147  1.0
  O  O9  1  0.145  0.369  0.735  1.0
  O  O10  1  0.777  0.227  0.275  1.0
[/CIF]
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