The crystal structure described by CrP2O7 crystallizes in the monoclinic C2/c space group. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form CrO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-49°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-48°. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(6) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(2) atom. In the third O site, O(7) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the fifth O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the sixth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the seventh O site, O(4) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. is represented by the CIF card [CIF]
data_CrP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.996
_cell_length_b   12.996
_cell_length_c   13.173
_cell_angle_alpha   27.544
_cell_angle_beta   27.544
_cell_angle_gamma   36.148
_symmetry_Int_Tables_number   1
_cell_volume   473.397
_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
  Cr  Cr0  1  0.414  0.879  0.852  1.0
  Cr  Cr1  1  0.879  0.414  0.352  1.0
  Cr  Cr2  1  0.121  0.586  0.648  1.0
  Cr  Cr3  1  0.586  0.121  0.148  1.0
  P  P4  1  0.918  0.747  0.471  1.0
  P  P5  1  0.082  0.253  0.529  1.0
  P  P6  1  0.747  0.918  0.971  1.0
  P  P7  1  0.667  0.585  0.178  1.0
  P  P8  1  0.585  0.667  0.678  1.0
  P  P9  1  0.333  0.415  0.822  1.0
  P  P10  1  0.415  0.333  0.322  1.0
  P  P11  1  0.253  0.082  0.029  1.0
  O  O12  1  0.817  0.642  0.909  1.0
  O  O13  1  0.358  0.183  0.591  1.0
  O  O14  1  0.440  0.528  0.388  1.0
  O  O15  1  0.429  0.978  0.890  1.0
  O  O16  1  0.642  0.817  0.409  1.0
  O  O17  1  0.560  0.472  0.612  1.0
  O  O18  1  0.571  0.022  0.110  1.0
  O  O19  1  0.095  0.872  0.155  1.0
  O  O20  1  0.392  0.193  0.897  1.0
  O  O21  1  0.528  0.440  0.888  1.0
  O  O22  1  0.128  0.905  0.345  1.0
  O  O23  1  0.213  0.595  0.701  1.0
  O  O24  1  0.022  0.571  0.610  1.0
  O  O25  1  0.405  0.787  0.799  1.0
  O  O26  1  0.095  0.272  0.955  1.0
  O  O27  1  0.183  0.358  0.091  1.0
  O  O28  1  0.807  0.608  0.603  1.0
  O  O29  1  0.608  0.807  0.103  1.0
  O  O30  1  0.728  0.905  0.545  1.0
  O  O31  1  0.193  0.392  0.397  1.0
  O  O32  1  0.272  0.095  0.455  1.0
  O  O33  1  0.905  0.728  0.045  1.0
  O  O34  1  0.595  0.213  0.201  1.0
  O  O35  1  0.978  0.429  0.390  1.0
  O  O36  1  0.787  0.405  0.299  1.0
  O  O37  1  0.872  0.095  0.655  1.0
  O  O38  1  0.472  0.560  0.112  1.0
  O  O39  1  0.905  0.128  0.845  1.0
[/CIF]
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The crystal structure described by CrP2O7 crystallizes in the monoclinic C2/c space group. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form CrO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-49°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-48°. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(6) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(2) atom. In the third O site, O(7) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the fifth O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the sixth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the seventh O site, O(4) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. is represented by the CIF card [CIF]
data_CrP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.996
_cell_length_b   12.996
_cell_length_c   13.173
_cell_angle_alpha   27.544
_cell_angle_beta   27.544
_cell_angle_gamma   36.148
_symmetry_Int_Tables_number   1
_cell_volume   473.397
_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
  Cr  Cr0  1  0.414  0.879  0.852  1.0
  Cr  Cr1  1  0.879  0.414  0.352  1.0
  Cr  Cr2  1  0.121  0.586  0.648  1.0
  Cr  Cr3  1  0.586  0.121  0.148  1.0
  P  P4  1  0.918  0.747  0.471  1.0
  P  P5  1  0.082  0.253  0.529  1.0
  P  P6  1  0.747  0.918  0.971  1.0
  P  P7  1  0.667  0.585  0.178  1.0
  P  P8  1  0.585  0.667  0.678  1.0
  P  P9  1  0.333  0.415  0.822  1.0
  P  P10  1  0.415  0.333  0.322  1.0
  P  P11  1  0.253  0.082  0.029  1.0
  O  O12  1  0.817  0.642  0.909  1.0
  O  O13  1  0.358  0.183  0.591  1.0
  O  O14  1  0.440  0.528  0.388  1.0
  O  O15  1  0.429  0.978  0.890  1.0
  O  O16  1  0.642  0.817  0.409  1.0
  O  O17  1  0.560  0.472  0.612  1.0
  O  O18  1  0.571  0.022  0.110  1.0
  O  O19  1  0.095  0.872  0.155  1.0
  O  O20  1  0.392  0.193  0.897  1.0
  O  O21  1  0.528  0.440  0.888  1.0
  O  O22  1  0.128  0.905  0.345  1.0
  O  O23  1  0.213  0.595  0.701  1.0
  O  O24  1  0.022  0.571  0.610  1.0
  O  O25  1  0.405  0.787  0.799  1.0
  O  O26  1  0.095  0.272  0.955  1.0
  O  O27  1  0.183  0.358  0.091  1.0
  O  O28  1  0.807  0.608  0.603  1.0
  O  O29  1  0.608  0.807  0.103  1.0
  O  O30  1  0.728  0.905  0.545  1.0
  O  O31  1  0.193  0.392  0.397  1.0
  O  O32  1  0.272  0.095  0.455  1.0
  O  O33  1  0.905  0.728  0.045  1.0
  O  O34  1  0.595  0.213  0.201  1.0
  O  O35  1  0.978  0.429  0.390  1.0
  O  O36  1  0.787  0.405  0.299  1.0
  O  O37  1  0.872  0.095  0.655  1.0
  O  O38  1  0.472  0.560  0.112  1.0
  O  O39  1  0.905  0.128  0.845  1.0
[/CIF]
.