The compound described by CoP2O7 crystallizes in the triclinic P-1 space group. Co(1) is bonded to one O(1), one O(3), one O(5), one O(7), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Co(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), 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 36-47°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(4), 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 28-54°. 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(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to 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(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Co(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Co(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 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   6.212
_cell_length_b   6.625
_cell_length_c   6.954
_cell_angle_alpha   88.808
_cell_angle_beta   113.358
_cell_angle_gamma   94.692
_symmetry_Int_Tables_number   1
_cell_volume   261.826
_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  0.100  0.358  0.212  1.0
  Co  Co1  1  0.900  0.642  0.788  1.0
  P  P2  1  0.336  0.611  0.649  1.0
  P  P3  1  0.664  0.389  0.351  1.0
  P  P4  1  0.220  0.856  0.252  1.0
  P  P5  1  0.780  0.144  0.748  1.0
  O  O6  1  0.402  0.384  0.207  1.0
  O  O7  1  0.571  0.100  0.812  1.0
  O  O8  1  0.429  0.900  0.188  1.0
  O  O9  1  0.900  0.950  0.773  1.0
  O  O10  1  0.307  0.801  0.495  1.0
  O  O11  1  0.201  0.652  0.785  1.0
  O  O12  1  0.065  0.670  0.127  1.0
  O  O13  1  0.598  0.616  0.793  1.0
  O  O14  1  0.693  0.199  0.505  1.0
  O  O15  1  0.243  0.417  0.520  1.0
  O  O16  1  0.100  0.050  0.227  1.0
  O  O17  1  0.935  0.330  0.873  1.0
  O  O18  1  0.799  0.348  0.215  1.0
  O  O19  1  0.757  0.583  0.480  1.0
[/CIF]
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The compound described by CoP2O7 crystallizes in the triclinic P-1 space group. Co(1) is bonded to one O(1), one O(3), one O(5), one O(7), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Co(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), 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 36-47°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(4), 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 28-54°. 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(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to 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(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Co(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Co(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 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   6.212
_cell_length_b   6.625
_cell_length_c   6.954
_cell_angle_alpha   88.808
_cell_angle_beta   113.358
_cell_angle_gamma   94.692
_symmetry_Int_Tables_number   1
_cell_volume   261.826
_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  0.100  0.358  0.212  1.0
  Co  Co1  1  0.900  0.642  0.788  1.0
  P  P2  1  0.336  0.611  0.649  1.0
  P  P3  1  0.664  0.389  0.351  1.0
  P  P4  1  0.220  0.856  0.252  1.0
  P  P5  1  0.780  0.144  0.748  1.0
  O  O6  1  0.402  0.384  0.207  1.0
  O  O7  1  0.571  0.100  0.812  1.0
  O  O8  1  0.429  0.900  0.188  1.0
  O  O9  1  0.900  0.950  0.773  1.0
  O  O10  1  0.307  0.801  0.495  1.0
  O  O11  1  0.201  0.652  0.785  1.0
  O  O12  1  0.065  0.670  0.127  1.0
  O  O13  1  0.598  0.616  0.793  1.0
  O  O14  1  0.693  0.199  0.505  1.0
  O  O15  1  0.243  0.417  0.520  1.0
  O  O16  1  0.100  0.050  0.227  1.0
  O  O17  1  0.935  0.330  0.873  1.0
  O  O18  1  0.799  0.348  0.215  1.0
  O  O19  1  0.757  0.583  0.480  1.0
[/CIF]
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