The material described by Ba2MgPrNbO6 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and two equivalent O(5) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and two equivalent O(5) atoms. Mg(1) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form distorted MgO5 trigonal bipyramids that share edges with two equivalent Nb(1)O5 trigonal bipyramids. Pr(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Nb(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(6) atom to form distorted NbO5 trigonal bipyramids that share edges with two equivalent Mg(1)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Ba(2), one Mg(1), one Pr(1), and one Nb(1) atom to form a mixture of distorted corner and edge-sharing OBa2PrMgNb square pyramids. In the second O site, O(2) is bonded to one Ba(1), one Ba(2), one Mg(1), one Pr(1), and one Nb(1) atom to form a mixture of distorted face, corner, and edge-sharing OBa2PrMgNb square pyramids. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Pr(1), and one Nb(1) atom. In the fourth O site, O(4) is bonded to one Ba(1), one Ba(2), one Mg(1), one Pr(1), and one Nb(1) atom to form a mixture of distorted face, corner, and edge-sharing OBa2PrMgNb trigonal bipyramids. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Mg(1), and one Pr(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Mg(1), one Pr(1), and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2PrMgNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.521
_cell_length_b   5.748
_cell_length_c   6.746
_cell_angle_alpha   62.201
_cell_angle_beta   46.699
_cell_angle_gamma   65.706
_symmetry_Int_Tables_number   1
_cell_volume   185.856
_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  0.279  0.144  0.391  1.0
  Ba  Ba1  1  0.580  0.761  0.870  1.0
  Pr  Pr2  1  0.980  0.908  0.157  1.0
  Mg  Mg3  1  0.045  0.548  0.836  1.0
  Nb  Nb4  1  0.587  0.453  0.482  1.0
  O  O5  1  0.744  0.788  0.111  1.0
  O  O6  1  0.293  0.657  0.801  1.0
  O  O7  1  0.811  0.470  0.519  1.0
  O  O8  1  0.300  0.212  0.758  1.0
  O  O9  1  0.138  0.734  0.434  1.0
  O  O10  1  0.743  0.324  0.141  1.0
[/CIF]
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The material described by Ba2MgPrNbO6 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and two equivalent O(5) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and two equivalent O(5) atoms. Mg(1) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form distorted MgO5 trigonal bipyramids that share edges with two equivalent Nb(1)O5 trigonal bipyramids. Pr(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Nb(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(6) atom to form distorted NbO5 trigonal bipyramids that share edges with two equivalent Mg(1)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Ba(2), one Mg(1), one Pr(1), and one Nb(1) atom to form a mixture of distorted corner and edge-sharing OBa2PrMgNb square pyramids. In the second O site, O(2) is bonded to one Ba(1), one Ba(2), one Mg(1), one Pr(1), and one Nb(1) atom to form a mixture of distorted face, corner, and edge-sharing OBa2PrMgNb square pyramids. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Pr(1), and one Nb(1) atom. In the fourth O site, O(4) is bonded to one Ba(1), one Ba(2), one Mg(1), one Pr(1), and one Nb(1) atom to form a mixture of distorted face, corner, and edge-sharing OBa2PrMgNb trigonal bipyramids. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Mg(1), and one Pr(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Mg(1), one Pr(1), and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2PrMgNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.521
_cell_length_b   5.748
_cell_length_c   6.746
_cell_angle_alpha   62.201
_cell_angle_beta   46.699
_cell_angle_gamma   65.706
_symmetry_Int_Tables_number   1
_cell_volume   185.856
_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  0.279  0.144  0.391  1.0
  Ba  Ba1  1  0.580  0.761  0.870  1.0
  Pr  Pr2  1  0.980  0.908  0.157  1.0
  Mg  Mg3  1  0.045  0.548  0.836  1.0
  Nb  Nb4  1  0.587  0.453  0.482  1.0
  O  O5  1  0.744  0.788  0.111  1.0
  O  O6  1  0.293  0.657  0.801  1.0
  O  O7  1  0.811  0.470  0.519  1.0
  O  O8  1  0.300  0.212  0.758  1.0
  O  O9  1  0.138  0.734  0.434  1.0
  O  O10  1  0.743  0.324  0.141  1.0
[/CIF]
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