The material structure described by CoP2O7 crystallizes in the triclinic P-1 space group. Co(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 CoO6 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 Co(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-41°. 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 Co(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-48°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Co(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Co(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Co(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Co(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Co(1) and one P(1) atom. is represented by the CIF card [CIF]
data_CoP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.155
_cell_length_b   6.758
_cell_length_c   8.278
_cell_angle_alpha   68.953
_cell_angle_beta   87.889
_cell_angle_gamma   88.458
_symmetry_Int_Tables_number   1
_cell_volume   268.918
_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
  Co  Co0  1  0.759  0.785  0.271  1.0
  Co  Co1  1  0.241  0.215  0.729  1.0
  P  P2  1  0.281  0.455  0.310  1.0
  P  P3  1  0.719  0.545  0.690  1.0
  P  P4  1  0.244  0.108  0.167  1.0
  P  P5  1  0.756  0.892  0.833  1.0
  O  O6  1  0.556  0.040  0.716  1.0
  O  O7  1  0.965  0.048  0.233  1.0
  O  O8  1  0.035  0.952  0.767  1.0
  O  O9  1  0.086  0.637  0.243  1.0
  O  O10  1  0.195  0.287  0.482  1.0
  O  O11  1  0.289  0.343  0.167  1.0
  O  O12  1  0.281  0.129  0.979  1.0
  O  O13  1  0.444  0.960  0.284  1.0
  O  O14  1  0.805  0.713  0.518  1.0
  O  O15  1  0.557  0.531  0.310  1.0
  O  O16  1  0.914  0.363  0.757  1.0
  O  O17  1  0.719  0.871  0.021  1.0
  O  O18  1  0.711  0.657  0.833  1.0
  O  O19  1  0.443  0.469  0.690  1.0
[/CIF]
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The material structure described by CoP2O7 crystallizes in the triclinic P-1 space group. Co(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 CoO6 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 Co(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-41°. 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 Co(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-48°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Co(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Co(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Co(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Co(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Co(1) and one P(1) atom. is represented by the CIF card [CIF]
data_CoP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.155
_cell_length_b   6.758
_cell_length_c   8.278
_cell_angle_alpha   68.953
_cell_angle_beta   87.889
_cell_angle_gamma   88.458
_symmetry_Int_Tables_number   1
_cell_volume   268.918
_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
  Co  Co0  1  0.759  0.785  0.271  1.0
  Co  Co1  1  0.241  0.215  0.729  1.0
  P  P2  1  0.281  0.455  0.310  1.0
  P  P3  1  0.719  0.545  0.690  1.0
  P  P4  1  0.244  0.108  0.167  1.0
  P  P5  1  0.756  0.892  0.833  1.0
  O  O6  1  0.556  0.040  0.716  1.0
  O  O7  1  0.965  0.048  0.233  1.0
  O  O8  1  0.035  0.952  0.767  1.0
  O  O9  1  0.086  0.637  0.243  1.0
  O  O10  1  0.195  0.287  0.482  1.0
  O  O11  1  0.289  0.343  0.167  1.0
  O  O12  1  0.281  0.129  0.979  1.0
  O  O13  1  0.444  0.960  0.284  1.0
  O  O14  1  0.805  0.713  0.518  1.0
  O  O15  1  0.557  0.531  0.310  1.0
  O  O16  1  0.914  0.363  0.757  1.0
  O  O17  1  0.719  0.871  0.021  1.0
  O  O18  1  0.711  0.657  0.833  1.0
  O  O19  1  0.443  0.469  0.690  1.0
[/CIF]
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