The material structure described by Co3(P2O7)2 crystallizes in the triclinic P-1 space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms to form distorted CoO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent Co(2)O5 trigonal bipyramids, and edges with two equivalent P(3)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(10), one O(13), one O(2), one O(7), and one O(8) atom to form distorted CoO5 trigonal bipyramids that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 68°. In the third Co site, Co(3) is bonded to one O(1), one O(12), one O(13), one O(9), and two equivalent O(11) atoms to form CoO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  a cornercorner with one Co(2)O5 trigonal bipyramid,  an edgeedge with one Co(3)O6 octahedra, and  an edgeedge with one Co(4)O6 octahedra. In the fourth Co site, Co(4) is bonded to two equivalent O(12), two equivalent O(5), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and edges with two equivalent Co(3)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(11), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Co(4)O6 octahedra, corners with three equivalent Co(3)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-60°. In the second P site, P(2) is bonded to one O(13), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent Co(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 55-68°. In the third P site, P(3) is bonded to one O(14), one O(3), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Co(2)O5 trigonal bipyramid, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-56°. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(14), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent Co(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 54-56°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Co(3) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Co(2) and one P(2) atom. In the third O site, O(3) is bonded in a water-like geometry to one Co(1) and one P(3) 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(4) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Co(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Co(2) and one P(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Co(3), one Co(4), and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Co(2) and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to two equivalent Co(3) and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(4), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. is represented by the CIF card [CIF]
data_Co3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.387
_cell_length_b   8.418
_cell_length_c   10.020
_cell_angle_alpha   107.906
_cell_angle_beta   91.528
_cell_angle_gamma   92.172
_symmetry_Int_Tables_number   1
_cell_volume   511.865
_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  0.000  0.500  0.500  1.0
  Co  Co1  1  0.285  0.897  0.621  1.0
  Co  Co2  1  0.348  0.879  0.063  1.0
  Co  Co3  1  0.500  0.500  0.000  1.0
  Co  Co4  1  0.652  0.121  0.937  1.0
  Co  Co5  1  0.715  0.103  0.379  1.0
  P  P6  1  0.162  0.203  0.010  1.0
  P  P7  1  0.182  0.184  0.309  1.0
  P  P8  1  0.273  0.552  0.723  1.0
  P  P9  1  0.478  0.749  0.318  1.0
  P  P10  1  0.522  0.251  0.682  1.0
  P  P11  1  0.727  0.448  0.277  1.0
  P  P12  1  0.818  0.816  0.691  1.0
  P  P13  1  0.838  0.797  0.990  1.0
  O  O14  1  0.038  0.850  0.077  1.0
  O  O15  1  0.007  0.084  0.354  1.0
  O  O16  1  0.058  0.456  0.676  1.0
  O  O17  1  0.095  0.217  0.167  1.0
  O  O18  1  0.253  0.376  0.014  1.0
  O  O19  1  0.217  0.358  0.417  1.0
  O  O20  1  0.281  0.677  0.640  1.0
  O  O21  1  0.305  0.810  0.419  1.0
  O  O22  1  0.328  0.626  0.880  1.0
  O  O23  1  0.333  0.124  0.651  1.0
  O  O24  1  0.335  0.074  0.970  1.0
  O  O25  1  0.407  0.704  0.162  1.0
  O  O26  1  0.382  0.089  0.275  1.0
  O  O27  1  0.452  0.422  0.662  1.0
  O  O28  1  0.548  0.578  0.338  1.0
  O  O29  1  0.618  0.911  0.725  1.0
  O  O30  1  0.593  0.296  0.838  1.0
  O  O31  1  0.665  0.926  0.030  1.0
  O  O32  1  0.667  0.876  0.349  1.0
  O  O33  1  0.672  0.374  0.120  1.0
  O  O34  1  0.695  0.190  0.581  1.0
  O  O35  1  0.719  0.323  0.360  1.0
  O  O36  1  0.783  0.642  0.583  1.0
  O  O37  1  0.747  0.624  0.986  1.0
  O  O38  1  0.905  0.783  0.833  1.0
  O  O39  1  0.942  0.544  0.324  1.0
  O  O40  1  0.993  0.916  0.646  1.0
  O  O41  1  0.962  0.150  0.923  1.0
[/CIF]
.
The material structure described by Co3(P2O7)2 crystallizes in the triclinic P-1 space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms to form distorted CoO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent Co(2)O5 trigonal bipyramids, and edges with two equivalent P(3)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(10), one O(13), one O(2), one O(7), and one O(8) atom to form distorted CoO5 trigonal bipyramids that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 68°. In the third Co site, Co(3) is bonded to one O(1), one O(12), one O(13), one O(9), and two equivalent O(11) atoms to form CoO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  a cornercorner with one Co(2)O5 trigonal bipyramid,  an edgeedge with one Co(3)O6 octahedra, and  an edgeedge with one Co(4)O6 octahedra. In the fourth Co site, Co(4) is bonded to two equivalent O(12), two equivalent O(5), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and edges with two equivalent Co(3)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(11), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Co(4)O6 octahedra, corners with three equivalent Co(3)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-60°. In the second P site, P(2) is bonded to one O(13), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent Co(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 55-68°. In the third P site, P(3) is bonded to one O(14), one O(3), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Co(2)O5 trigonal bipyramid, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-56°. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(14), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent Co(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 54-56°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Co(3) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Co(2) and one P(2) atom. In the third O site, O(3) is bonded in a water-like geometry to one Co(1) and one P(3) 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(4) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Co(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Co(2) and one P(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Co(3), one Co(4), and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Co(2) and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to two equivalent Co(3) and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(4), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(3), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. is represented by the CIF card [CIF]
data_Co3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.387
_cell_length_b   8.418
_cell_length_c   10.020
_cell_angle_alpha   107.906
_cell_angle_beta   91.528
_cell_angle_gamma   92.172
_symmetry_Int_Tables_number   1
_cell_volume   511.865
_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  0.000  0.500  0.500  1.0
  Co  Co1  1  0.285  0.897  0.621  1.0
  Co  Co2  1  0.348  0.879  0.063  1.0
  Co  Co3  1  0.500  0.500  0.000  1.0
  Co  Co4  1  0.652  0.121  0.937  1.0
  Co  Co5  1  0.715  0.103  0.379  1.0
  P  P6  1  0.162  0.203  0.010  1.0
  P  P7  1  0.182  0.184  0.309  1.0
  P  P8  1  0.273  0.552  0.723  1.0
  P  P9  1  0.478  0.749  0.318  1.0
  P  P10  1  0.522  0.251  0.682  1.0
  P  P11  1  0.727  0.448  0.277  1.0
  P  P12  1  0.818  0.816  0.691  1.0
  P  P13  1  0.838  0.797  0.990  1.0
  O  O14  1  0.038  0.850  0.077  1.0
  O  O15  1  0.007  0.084  0.354  1.0
  O  O16  1  0.058  0.456  0.676  1.0
  O  O17  1  0.095  0.217  0.167  1.0
  O  O18  1  0.253  0.376  0.014  1.0
  O  O19  1  0.217  0.358  0.417  1.0
  O  O20  1  0.281  0.677  0.640  1.0
  O  O21  1  0.305  0.810  0.419  1.0
  O  O22  1  0.328  0.626  0.880  1.0
  O  O23  1  0.333  0.124  0.651  1.0
  O  O24  1  0.335  0.074  0.970  1.0
  O  O25  1  0.407  0.704  0.162  1.0
  O  O26  1  0.382  0.089  0.275  1.0
  O  O27  1  0.452  0.422  0.662  1.0
  O  O28  1  0.548  0.578  0.338  1.0
  O  O29  1  0.618  0.911  0.725  1.0
  O  O30  1  0.593  0.296  0.838  1.0
  O  O31  1  0.665  0.926  0.030  1.0
  O  O32  1  0.667  0.876  0.349  1.0
  O  O33  1  0.672  0.374  0.120  1.0
  O  O34  1  0.695  0.190  0.581  1.0
  O  O35  1  0.719  0.323  0.360  1.0
  O  O36  1  0.783  0.642  0.583  1.0
  O  O37  1  0.747  0.624  0.986  1.0
  O  O38  1  0.905  0.783  0.833  1.0
  O  O39  1  0.942  0.544  0.324  1.0
  O  O40  1  0.993  0.916  0.646  1.0
  O  O41  1  0.962  0.150  0.923  1.0
[/CIF]
.