The material described by PrCr2O2 crystallizes in the tetragonal I4_1/amd space group. Pr(1) is bonded in a linear geometry to two equivalent O(1) atoms. Cr(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(1) atoms. O(1) is bonded to one Pr(1) and four equivalent Cr(1) atoms to form a mixture of edge and corner-sharing OPrCr4 trigonal bipyramids. is represented by the CIF card [CIF]
data_PrCr2O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.704
_cell_length_b   11.704
_cell_length_c   11.704
_cell_angle_alpha   91.768
_cell_angle_beta   91.768
_cell_angle_gamma   159.765
_symmetry_Int_Tables_number   1
_cell_volume   545.933
_cell_formula_units_Z   4
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  0.875  0.125  0.250  1.0
  Pr  Pr1  1  0.875  0.625  0.750  1.0
  Pr  Pr2  1  0.375  0.125  0.250  1.0
  Pr  Pr3  1  0.875  0.125  0.750  1.0
  Cr  Cr4  1  0.478  0.077  0.599  1.0
  Cr  Cr5  1  0.478  0.879  0.401  1.0
  Cr  Cr6  1  0.629  0.728  0.901  1.0
  Cr  Cr7  1  0.272  0.371  0.099  1.0
  Cr  Cr8  1  0.272  0.173  0.901  1.0
  Cr  Cr9  1  0.827  0.728  0.099  1.0
  Cr  Cr10  1  0.121  0.522  0.599  1.0
  Cr  Cr11  1  0.923  0.522  0.401  1.0
  O  O12  1  0.769  0.663  0.894  1.0
  O  O13  1  0.769  0.875  0.106  1.0
  O  O14  1  0.625  0.019  0.606  1.0
  O  O15  1  0.981  0.375  0.394  1.0
  O  O16  1  0.981  0.587  0.606  1.0
  O  O17  1  0.413  0.019  0.394  1.0
  O  O18  1  0.125  0.231  0.894  1.0
  O  O19  1  0.337  0.231  0.106  1.0
[/CIF]
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The material described by PrCr2O2 crystallizes in the tetragonal I4_1/amd space group. Pr(1) is bonded in a linear geometry to two equivalent O(1) atoms. Cr(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(1) atoms. O(1) is bonded to one Pr(1) and four equivalent Cr(1) atoms to form a mixture of edge and corner-sharing OPrCr4 trigonal bipyramids. is represented by the CIF card [CIF]
data_PrCr2O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.704
_cell_length_b   11.704
_cell_length_c   11.704
_cell_angle_alpha   91.768
_cell_angle_beta   91.768
_cell_angle_gamma   159.765
_symmetry_Int_Tables_number   1
_cell_volume   545.933
_cell_formula_units_Z   4
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  0.875  0.125  0.250  1.0
  Pr  Pr1  1  0.875  0.625  0.750  1.0
  Pr  Pr2  1  0.375  0.125  0.250  1.0
  Pr  Pr3  1  0.875  0.125  0.750  1.0
  Cr  Cr4  1  0.478  0.077  0.599  1.0
  Cr  Cr5  1  0.478  0.879  0.401  1.0
  Cr  Cr6  1  0.629  0.728  0.901  1.0
  Cr  Cr7  1  0.272  0.371  0.099  1.0
  Cr  Cr8  1  0.272  0.173  0.901  1.0
  Cr  Cr9  1  0.827  0.728  0.099  1.0
  Cr  Cr10  1  0.121  0.522  0.599  1.0
  Cr  Cr11  1  0.923  0.522  0.401  1.0
  O  O12  1  0.769  0.663  0.894  1.0
  O  O13  1  0.769  0.875  0.106  1.0
  O  O14  1  0.625  0.019  0.606  1.0
  O  O15  1  0.981  0.375  0.394  1.0
  O  O16  1  0.981  0.587  0.606  1.0
  O  O17  1  0.413  0.019  0.394  1.0
  O  O18  1  0.125  0.231  0.894  1.0
  O  O19  1  0.337  0.231  0.106  1.0
[/CIF]
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