The material structure described by MgPr(AgO3)2 is Ilmenite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. Mg(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted MgO6 pentagonal pyramids that share corners with four equivalent Ag(1)O6 octahedra and edges with four equivalent Ag(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-70°. Pr(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(2), and four equivalent O(3) atoms. Ag(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form AgO6 octahedra that share corners with six equivalent Ag(1)O6 octahedra, corners with two equivalent Mg(1)O6 pentagonal pyramids, and edges with two equivalent Mg(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 39-52°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Pr(1), and two equivalent Ag(1) atoms to form a mixture of distorted edge and corner-sharing OPrMgAg2 trigonal pyramids. In the second O site, O(2) is bonded to one Mg(1), one Pr(1), and two equivalent Ag(1) atoms to form a mixture of distorted edge and corner-sharing OPrMgAg2 tetrahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Pr(1), and two equivalent Ag(1) atoms. In the fourth O site, O(4) is bonded to one Mg(1), one Pr(1), and two equivalent Ag(1) atoms to form distorted corner-sharing OPrMgAg2 trigonal pyramids. is represented by the CIF file [CIF]
data_PrMg(AgO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.415
_cell_length_b   5.790
_cell_length_c   8.123
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   254.703
_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
  Pr  Pr0  1  0.021  0.678  0.000  1.0
  Pr  Pr1  1  0.521  0.322  0.500  1.0
  Mg  Mg2  1  0.466  0.178  0.000  1.0
  Mg  Mg3  1  0.966  0.822  0.500  1.0
  Ag  Ag4  1  0.000  0.245  0.752  1.0
  Ag  Ag5  1  0.000  0.245  0.248  1.0
  Ag  Ag6  1  0.500  0.755  0.252  1.0
  Ag  Ag7  1  0.500  0.755  0.748  1.0
  O  O8  1  0.112  0.174  0.500  1.0
  O  O9  1  0.220  0.973  0.833  1.0
  O  O10  1  0.220  0.973  0.167  1.0
  O  O11  1  0.316  0.437  0.177  1.0
  O  O12  1  0.316  0.437  0.823  1.0
  O  O13  1  0.331  0.701  0.500  1.0
  O  O14  1  0.612  0.826  0.000  1.0
  O  O15  1  0.720  0.027  0.667  1.0
  O  O16  1  0.720  0.027  0.333  1.0
  O  O17  1  0.816  0.563  0.677  1.0
  O  O18  1  0.816  0.563  0.323  1.0
  O  O19  1  0.831  0.299  0.000  1.0
[/CIF]
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The material structure described by MgPr(AgO3)2 is Ilmenite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. Mg(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted MgO6 pentagonal pyramids that share corners with four equivalent Ag(1)O6 octahedra and edges with four equivalent Ag(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-70°. Pr(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(2), and four equivalent O(3) atoms. Ag(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form AgO6 octahedra that share corners with six equivalent Ag(1)O6 octahedra, corners with two equivalent Mg(1)O6 pentagonal pyramids, and edges with two equivalent Mg(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 39-52°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Pr(1), and two equivalent Ag(1) atoms to form a mixture of distorted edge and corner-sharing OPrMgAg2 trigonal pyramids. In the second O site, O(2) is bonded to one Mg(1), one Pr(1), and two equivalent Ag(1) atoms to form a mixture of distorted edge and corner-sharing OPrMgAg2 tetrahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Pr(1), and two equivalent Ag(1) atoms. In the fourth O site, O(4) is bonded to one Mg(1), one Pr(1), and two equivalent Ag(1) atoms to form distorted corner-sharing OPrMgAg2 trigonal pyramids. is represented by the CIF file [CIF]
data_PrMg(AgO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.415
_cell_length_b   5.790
_cell_length_c   8.123
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   254.703
_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
  Pr  Pr0  1  0.021  0.678  0.000  1.0
  Pr  Pr1  1  0.521  0.322  0.500  1.0
  Mg  Mg2  1  0.466  0.178  0.000  1.0
  Mg  Mg3  1  0.966  0.822  0.500  1.0
  Ag  Ag4  1  0.000  0.245  0.752  1.0
  Ag  Ag5  1  0.000  0.245  0.248  1.0
  Ag  Ag6  1  0.500  0.755  0.252  1.0
  Ag  Ag7  1  0.500  0.755  0.748  1.0
  O  O8  1  0.112  0.174  0.500  1.0
  O  O9  1  0.220  0.973  0.833  1.0
  O  O10  1  0.220  0.973  0.167  1.0
  O  O11  1  0.316  0.437  0.177  1.0
  O  O12  1  0.316  0.437  0.823  1.0
  O  O13  1  0.331  0.701  0.500  1.0
  O  O14  1  0.612  0.826  0.000  1.0
  O  O15  1  0.720  0.027  0.667  1.0
  O  O16  1  0.720  0.027  0.333  1.0
  O  O17  1  0.816  0.563  0.677  1.0
  O  O18  1  0.816  0.563  0.323  1.0
  O  O19  1  0.831  0.299  0.000  1.0
[/CIF]
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