The material structure described by MgPr(CoO3)4 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Pr(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(5) atoms. Co(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 16-37°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Pr(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one Pr(1), and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent Co(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Pr(1) and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_PrMg(CoO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.203
_cell_length_b   5.203
_cell_length_c   7.554
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.560
_symmetry_Int_Tables_number   1
_cell_volume   204.481
_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
  Pr  Pr0  1  0.027  0.973  0.500  1.0
  Mg  Mg1  1  0.477  0.523  0.000  1.0
  Co  Co2  1  0.505  0.007  0.240  1.0
  Co  Co3  1  0.505  0.007  0.760  1.0
  Co  Co4  1  0.993  0.495  0.760  1.0
  Co  Co5  1  0.993  0.495  0.240  1.0
  O  O6  1  0.209  0.210  0.248  1.0
  O  O7  1  0.790  0.791  0.248  1.0
  O  O8  1  0.790  0.791  0.752  1.0
  O  O9  1  0.209  0.210  0.752  1.0
  O  O10  1  0.281  0.719  0.284  1.0
  O  O11  1  0.689  0.311  0.185  1.0
  O  O12  1  0.689  0.311  0.815  1.0
  O  O13  1  0.281  0.719  0.716  1.0
  O  O14  1  0.478  0.916  0.000  1.0
  O  O15  1  0.544  0.041  0.500  1.0
  O  O16  1  0.084  0.522  0.000  1.0
  O  O17  1  0.959  0.456  0.500  1.0
[/CIF]
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The material structure described by MgPr(CoO3)4 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Pr(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(5) atoms. Co(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 16-37°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Pr(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one Pr(1), and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent Co(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Pr(1) and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_PrMg(CoO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.203
_cell_length_b   5.203
_cell_length_c   7.554
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.560
_symmetry_Int_Tables_number   1
_cell_volume   204.481
_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
  Pr  Pr0  1  0.027  0.973  0.500  1.0
  Mg  Mg1  1  0.477  0.523  0.000  1.0
  Co  Co2  1  0.505  0.007  0.240  1.0
  Co  Co3  1  0.505  0.007  0.760  1.0
  Co  Co4  1  0.993  0.495  0.760  1.0
  Co  Co5  1  0.993  0.495  0.240  1.0
  O  O6  1  0.209  0.210  0.248  1.0
  O  O7  1  0.790  0.791  0.248  1.0
  O  O8  1  0.790  0.791  0.752  1.0
  O  O9  1  0.209  0.210  0.752  1.0
  O  O10  1  0.281  0.719  0.284  1.0
  O  O11  1  0.689  0.311  0.185  1.0
  O  O12  1  0.689  0.311  0.815  1.0
  O  O13  1  0.281  0.719  0.716  1.0
  O  O14  1  0.478  0.916  0.000  1.0
  O  O15  1  0.544  0.041  0.500  1.0
  O  O16  1  0.084  0.522  0.000  1.0
  O  O17  1  0.959  0.456  0.500  1.0
[/CIF]
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