The compound described by BaMgPr(CoO3)2 crystallizes in the orthorhombic Pmm2 space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(6) atoms. Mg(1) is bonded in a trigonal planar geometry to one O(3) and two equivalent O(6) atoms. Pr(1) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(5), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing CoO5 trigonal bipyramids. In the second Co site, Co(2) is bonded to one O(5), two equivalent O(3), and two equivalent O(4) atoms to form distorted corner-sharing CoO5 square pyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1) and two equivalent Co(1) atoms to form distorted OBa2Co2 tetrahedra that share corners with two equivalent O(5)Pr4Co2 octahedra, corners with four equivalent O(1)Ba2Co2 tetrahedra, and edges with four equivalent O(2)Ba2Pr2Co2 octahedra. The corner-sharing octahedral tilt angles are 69°. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent Pr(1), and two equivalent Co(1) atoms to form OBa2Pr2Co2 octahedra that share corners with two equivalent O(2)Ba2Pr2Co2 octahedra, corners with four equivalent O(5)Pr4Co2 octahedra, edges with two equivalent O(2)Ba2Pr2Co2 octahedra, edges with four equivalent O(1)Ba2Co2 tetrahedra, and faces with two equivalent O(5)Pr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-68°. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mg(1), two equivalent Pr(1), and two equivalent Co(2) atoms. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to two equivalent Pr(1) and two equivalent Co(2) atoms. In the fifth O site, O(5) is bonded to four equivalent Pr(1), one Co(1), and one Co(2) atom to form distorted OPr4Co2 octahedra that share corners with four equivalent O(2)Ba2Pr2Co2 octahedra, corners with four equivalent O(5)Pr4Co2 octahedra, corners with two equivalent O(1)Ba2Co2 tetrahedra, edges with four equivalent O(5)Pr4Co2 octahedra, and faces with two equivalent O(2)Ba2Pr2Co2 octahedra. The corner-sharing octahedral tilt angles range from 9-68°. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to four equivalent Ba(1) and two equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_BaPrMg(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.608
_cell_length_b   4.121
_cell_length_c   10.901
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   162.116
_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  0.000  0.000  0.862  1.0
  Pr  Pr1  1  0.000  0.000  0.482  1.0
  Mg  Mg2  1  0.000  0.500  0.108  1.0
  Co  Co3  1  0.500  0.500  0.673  1.0
  Co  Co4  1  0.500  0.500  0.315  1.0
  O  O5  1  0.000  0.500  0.738  1.0
  O  O6  1  0.500  0.000  0.671  1.0
  O  O7  1  0.000  0.500  0.285  1.0
  O  O8  1  0.500  0.000  0.336  1.0
  O  O9  1  0.500  0.500  0.501  1.0
  O  O10  1  0.500  0.500  0.028  1.0
[/CIF]
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The compound described by BaMgPr(CoO3)2 crystallizes in the orthorhombic Pmm2 space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(6) atoms. Mg(1) is bonded in a trigonal planar geometry to one O(3) and two equivalent O(6) atoms. Pr(1) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(5), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing CoO5 trigonal bipyramids. In the second Co site, Co(2) is bonded to one O(5), two equivalent O(3), and two equivalent O(4) atoms to form distorted corner-sharing CoO5 square pyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1) and two equivalent Co(1) atoms to form distorted OBa2Co2 tetrahedra that share corners with two equivalent O(5)Pr4Co2 octahedra, corners with four equivalent O(1)Ba2Co2 tetrahedra, and edges with four equivalent O(2)Ba2Pr2Co2 octahedra. The corner-sharing octahedral tilt angles are 69°. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent Pr(1), and two equivalent Co(1) atoms to form OBa2Pr2Co2 octahedra that share corners with two equivalent O(2)Ba2Pr2Co2 octahedra, corners with four equivalent O(5)Pr4Co2 octahedra, edges with two equivalent O(2)Ba2Pr2Co2 octahedra, edges with four equivalent O(1)Ba2Co2 tetrahedra, and faces with two equivalent O(5)Pr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-68°. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mg(1), two equivalent Pr(1), and two equivalent Co(2) atoms. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to two equivalent Pr(1) and two equivalent Co(2) atoms. In the fifth O site, O(5) is bonded to four equivalent Pr(1), one Co(1), and one Co(2) atom to form distorted OPr4Co2 octahedra that share corners with four equivalent O(2)Ba2Pr2Co2 octahedra, corners with four equivalent O(5)Pr4Co2 octahedra, corners with two equivalent O(1)Ba2Co2 tetrahedra, edges with four equivalent O(5)Pr4Co2 octahedra, and faces with two equivalent O(2)Ba2Pr2Co2 octahedra. The corner-sharing octahedral tilt angles range from 9-68°. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to four equivalent Ba(1) and two equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_BaPrMg(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.608
_cell_length_b   4.121
_cell_length_c   10.901
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   162.116
_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  0.000  0.000  0.862  1.0
  Pr  Pr1  1  0.000  0.000  0.482  1.0
  Mg  Mg2  1  0.000  0.500  0.108  1.0
  Co  Co3  1  0.500  0.500  0.673  1.0
  Co  Co4  1  0.500  0.500  0.315  1.0
  O  O5  1  0.000  0.500  0.738  1.0
  O  O6  1  0.500  0.000  0.671  1.0
  O  O7  1  0.000  0.500  0.285  1.0
  O  O8  1  0.500  0.000  0.336  1.0
  O  O9  1  0.500  0.500  0.501  1.0
  O  O10  1  0.500  0.500  0.028  1.0
[/CIF]
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