The crystal structure described by Cr(PO3)2 crystallizes in the monoclinic C2/c space group. Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and edges with two equivalent Cr(1)O6 octahedra. P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-54°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr(PO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.015
_cell_length_b   6.914
_cell_length_c   6.918
_cell_angle_alpha   84.370
_cell_angle_beta   76.009
_cell_angle_gamma   76.021
_symmetry_Int_Tables_number   1
_cell_volume   225.678
_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
  Cr  Cr0  1  0.250  0.887  0.113  1.0
  Cr  Cr1  1  0.750  0.113  0.887  1.0
  O  O2  1  0.342  0.207  0.053  1.0
  O  O3  1  0.842  0.053  0.207  1.0
  O  O4  1  0.158  0.947  0.793  1.0
  O  O5  1  0.658  0.793  0.947  1.0
  O  O6  1  0.187  0.586  0.117  1.0
  O  O7  1  0.687  0.117  0.586  1.0
  O  O8  1  0.314  0.883  0.414  1.0
  O  O9  1  0.813  0.414  0.883  1.0
  O  O10  1  0.457  0.352  0.341  1.0
  O  O11  1  0.957  0.341  0.352  1.0
  O  O12  1  0.043  0.659  0.648  1.0
  O  O13  1  0.543  0.648  0.659  1.0
  P  P14  1  0.238  0.376  0.197  1.0
  P  P15  1  0.738  0.197  0.376  1.0
  P  P16  1  0.262  0.803  0.624  1.0
  P  P17  1  0.762  0.624  0.803  1.0
[/CIF]
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The crystal structure described by Cr(PO3)2 crystallizes in the monoclinic C2/c space group. Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and edges with two equivalent Cr(1)O6 octahedra. P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-54°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent P(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr(PO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.015
_cell_length_b   6.914
_cell_length_c   6.918
_cell_angle_alpha   84.370
_cell_angle_beta   76.009
_cell_angle_gamma   76.021
_symmetry_Int_Tables_number   1
_cell_volume   225.678
_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
  Cr  Cr0  1  0.250  0.887  0.113  1.0
  Cr  Cr1  1  0.750  0.113  0.887  1.0
  O  O2  1  0.342  0.207  0.053  1.0
  O  O3  1  0.842  0.053  0.207  1.0
  O  O4  1  0.158  0.947  0.793  1.0
  O  O5  1  0.658  0.793  0.947  1.0
  O  O6  1  0.187  0.586  0.117  1.0
  O  O7  1  0.687  0.117  0.586  1.0
  O  O8  1  0.314  0.883  0.414  1.0
  O  O9  1  0.813  0.414  0.883  1.0
  O  O10  1  0.457  0.352  0.341  1.0
  O  O11  1  0.957  0.341  0.352  1.0
  O  O12  1  0.043  0.659  0.648  1.0
  O  O13  1  0.543  0.648  0.659  1.0
  P  P14  1  0.238  0.376  0.197  1.0
  P  P15  1  0.738  0.197  0.376  1.0
  P  P16  1  0.262  0.803  0.624  1.0
  P  P17  1  0.762  0.624  0.803  1.0
[/CIF]
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