The structure described by PrCr2O6 crystallizes in the monoclinic Pc space group. Pr(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 8-26°. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 8-26°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Pr(1), one Cr(1), and one Cr(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Pr(1), one Cr(1), and one Cr(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Pr(1), one Cr(1), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Pr(1), one Cr(1), and one Cr(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Pr(1), one Cr(1), and one Cr(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Pr(1), one Cr(1), and one Cr(2) atom. is represented by the CIF card [CIF]
data_PrCr2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.362
_cell_length_b   5.353
_cell_length_c   9.243
_cell_angle_alpha   54.755
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   216.675
_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  0.282  0.238  0.750  1.0
  Pr  Pr1  1  0.718  0.238  0.250  1.0
  Cr  Cr2  1  0.756  0.979  0.999  1.0
  Cr  Cr3  1  0.761  0.476  0.504  1.0
  Cr  Cr4  1  0.244  0.979  0.499  1.0
  Cr  Cr5  1  0.239  0.476  0.004  1.0
  O  O6  1  0.756  0.711  0.243  1.0
  O  O7  1  0.024  0.810  0.970  1.0
  O  O8  1  0.026  0.248  0.529  1.0
  O  O9  1  0.519  0.207  0.528  1.0
  O  O10  1  0.522  0.765  0.973  1.0
  O  O11  1  0.255  0.304  0.254  1.0
  O  O12  1  0.244  0.711  0.743  1.0
  O  O13  1  0.974  0.248  0.029  1.0
  O  O14  1  0.976  0.810  0.470  1.0
  O  O15  1  0.481  0.207  0.028  1.0
  O  O16  1  0.478  0.765  0.473  1.0
  O  O17  1  0.745  0.304  0.754  1.0
[/CIF]
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The structure described by PrCr2O6 crystallizes in the monoclinic Pc space group. Pr(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 8-26°. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 8-26°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Pr(1), one Cr(1), and one Cr(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Pr(1), one Cr(1), and one Cr(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Pr(1), one Cr(1), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Pr(1), one Cr(1), and one Cr(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Pr(1), one Cr(1), and one Cr(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Pr(1), one Cr(1), and one Cr(2) atom. is represented by the CIF card [CIF]
data_PrCr2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.362
_cell_length_b   5.353
_cell_length_c   9.243
_cell_angle_alpha   54.755
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   216.675
_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  0.282  0.238  0.750  1.0
  Pr  Pr1  1  0.718  0.238  0.250  1.0
  Cr  Cr2  1  0.756  0.979  0.999  1.0
  Cr  Cr3  1  0.761  0.476  0.504  1.0
  Cr  Cr4  1  0.244  0.979  0.499  1.0
  Cr  Cr5  1  0.239  0.476  0.004  1.0
  O  O6  1  0.756  0.711  0.243  1.0
  O  O7  1  0.024  0.810  0.970  1.0
  O  O8  1  0.026  0.248  0.529  1.0
  O  O9  1  0.519  0.207  0.528  1.0
  O  O10  1  0.522  0.765  0.973  1.0
  O  O11  1  0.255  0.304  0.254  1.0
  O  O12  1  0.244  0.711  0.743  1.0
  O  O13  1  0.974  0.248  0.029  1.0
  O  O14  1  0.976  0.810  0.470  1.0
  O  O15  1  0.481  0.207  0.028  1.0
  O  O16  1  0.478  0.765  0.473  1.0
  O  O17  1  0.745  0.304  0.754  1.0
[/CIF]
.