The material described by Co3(P2O7)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(7) atoms. In the second Co site, Co(2) is bonded to one O(2), one O(5), one O(6), and two equivalent O(4) atoms to form CoO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Co(2)O5 trigonal bipyramid. 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  a cornercorner with one P(2)O4 tetrahedra and corners with three equivalent Co(2)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with two equivalent Co(2)O5 trigonal bipyramids. 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 bent 120 degrees geometry to one Co(2) and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Co(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Co(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Co(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one P(1) atom. is represented by the CIF card [CIF]
data_Co3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.708
_cell_length_b   7.020
_cell_length_c   7.419
_cell_angle_alpha   96.327
_cell_angle_beta   90.253
_cell_angle_gamma   106.217
_symmetry_Int_Tables_number   1
_cell_volume   283.536
_cell_formula_units_Z   1
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  0.000  0.000  1.0
  Co  Co1  1  0.362  0.526  0.324  1.0
  Co  Co2  1  0.638  0.474  0.676  1.0
  O  O3  1  0.765  0.144  0.098  1.0
  O  O4  1  0.235  0.856  0.902  1.0
  O  O5  1  0.423  0.297  0.197  1.0
  O  O6  1  0.577  0.703  0.803  1.0
  O  O7  1  0.851  0.517  0.143  1.0
  O  O8  1  0.149  0.483  0.857  1.0
  O  O9  1  0.307  0.362  0.561  1.0
  O  O10  1  0.693  0.638  0.439  1.0
  O  O11  1  0.863  0.346  0.585  1.0
  O  O12  1  0.137  0.654  0.415  1.0
  O  O13  1  0.574  0.321  0.880  1.0
  O  O14  1  0.426  0.679  0.120  1.0
  O  O15  1  0.972  0.886  0.241  1.0
  O  O16  1  0.028  0.114  0.759  1.0
  P  P17  1  0.083  0.312  0.687  1.0
  P  P18  1  0.917  0.688  0.313  1.0
  P  P19  1  0.648  0.307  0.075  1.0
  P  P20  1  0.352  0.693  0.925  1.0
[/CIF]
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The material described by Co3(P2O7)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(7) atoms. In the second Co site, Co(2) is bonded to one O(2), one O(5), one O(6), and two equivalent O(4) atoms to form CoO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Co(2)O5 trigonal bipyramid. 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  a cornercorner with one P(2)O4 tetrahedra and corners with three equivalent Co(2)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with two equivalent Co(2)O5 trigonal bipyramids. 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 bent 120 degrees geometry to one Co(2) and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Co(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Co(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Co(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one P(1) atom. is represented by the CIF card [CIF]
data_Co3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.708
_cell_length_b   7.020
_cell_length_c   7.419
_cell_angle_alpha   96.327
_cell_angle_beta   90.253
_cell_angle_gamma   106.217
_symmetry_Int_Tables_number   1
_cell_volume   283.536
_cell_formula_units_Z   1
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  0.000  0.000  1.0
  Co  Co1  1  0.362  0.526  0.324  1.0
  Co  Co2  1  0.638  0.474  0.676  1.0
  O  O3  1  0.765  0.144  0.098  1.0
  O  O4  1  0.235  0.856  0.902  1.0
  O  O5  1  0.423  0.297  0.197  1.0
  O  O6  1  0.577  0.703  0.803  1.0
  O  O7  1  0.851  0.517  0.143  1.0
  O  O8  1  0.149  0.483  0.857  1.0
  O  O9  1  0.307  0.362  0.561  1.0
  O  O10  1  0.693  0.638  0.439  1.0
  O  O11  1  0.863  0.346  0.585  1.0
  O  O12  1  0.137  0.654  0.415  1.0
  O  O13  1  0.574  0.321  0.880  1.0
  O  O14  1  0.426  0.679  0.120  1.0
  O  O15  1  0.972  0.886  0.241  1.0
  O  O16  1  0.028  0.114  0.759  1.0
  P  P17  1  0.083  0.312  0.687  1.0
  P  P18  1  0.917  0.688  0.313  1.0
  P  P19  1  0.648  0.307  0.075  1.0
  P  P20  1  0.352  0.693  0.925  1.0
[/CIF]
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