The material described by Co2P2O7 crystallizes in the triclinic P-1 space group. Co(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted CoO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and edges with three equivalent Co(1)O6 octahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with six equivalent Co(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-62°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent P(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Co(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Co(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Co(1) and one P(1) atom. is represented by the CIF file [CIF]
data_Co2P2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.470
_cell_length_b   5.233
_cell_length_c   5.311
_cell_angle_alpha   103.831
_cell_angle_beta   97.829
_cell_angle_gamma   98.242
_symmetry_Int_Tables_number   1
_cell_volume   117.481
_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  0.491  0.310  0.688  1.0
  Co  Co1  1  0.509  0.690  0.312  1.0
  O  O2  1  1.000  1.000  1.000  1.0
  O  O3  1  0.718  0.074  0.374  1.0
  O  O4  1  0.282  0.926  0.626  1.0
  O  O5  1  0.277  0.616  0.926  1.0
  O  O6  1  0.723  0.384  0.074  1.0
  O  O7  1  0.213  0.380  0.376  1.0
  O  O8  1  0.787  0.620  0.624  1.0
  P  P9  1  0.094  0.780  0.785  1.0
  P  P10  1  0.906  0.220  0.215  1.0
[/CIF]
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The material described by Co2P2O7 crystallizes in the triclinic P-1 space group. Co(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted CoO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and edges with three equivalent Co(1)O6 octahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with six equivalent Co(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-62°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent P(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Co(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Co(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Co(1) and one P(1) atom. is represented by the CIF file [CIF]
data_Co2P2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.470
_cell_length_b   5.233
_cell_length_c   5.311
_cell_angle_alpha   103.831
_cell_angle_beta   97.829
_cell_angle_gamma   98.242
_symmetry_Int_Tables_number   1
_cell_volume   117.481
_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  0.491  0.310  0.688  1.0
  Co  Co1  1  0.509  0.690  0.312  1.0
  O  O2  1  1.000  1.000  1.000  1.0
  O  O3  1  0.718  0.074  0.374  1.0
  O  O4  1  0.282  0.926  0.626  1.0
  O  O5  1  0.277  0.616  0.926  1.0
  O  O6  1  0.723  0.384  0.074  1.0
  O  O7  1  0.213  0.380  0.376  1.0
  O  O8  1  0.787  0.620  0.624  1.0
  P  P9  1  0.094  0.780  0.785  1.0
  P  P10  1  0.906  0.220  0.215  1.0
[/CIF]
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