The structure described by CoCuP2O7 crystallizes in the triclinic P1 space group. Co(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted CoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. Cu(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. There are two inequivalent P sites. In the first P site, P(1) 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(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-60°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(4), 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(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-59°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Co(1), one Cu(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Co(1), one Cu(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Co(1), one Cu(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Co(1), one Cu(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Co(1), one Cu(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Co(1), one Cu(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CoCuP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.593
_cell_length_b   5.364
_cell_length_c   5.393
_cell_angle_alpha   101.434
_cell_angle_beta   100.937
_cell_angle_gamma   100.890
_symmetry_Int_Tables_number   1
_cell_volume   124.268
_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  0.719  0.103  0.284  1.0
  Cu  Cu1  1  0.726  0.481  0.909  1.0
  P  P2  1  0.316  0.581  0.401  1.0
  P  P3  1  0.131  0.994  0.808  1.0
  O  O4  1  0.222  0.762  0.629  1.0
  O  O5  1  0.505  0.416  0.536  1.0
  O  O6  1  0.942  0.857  0.974  1.0
  O  O7  1  0.957  0.143  0.648  1.0
  O  O8  1  0.493  0.743  0.253  1.0
  O  O9  1  0.009  0.413  0.219  1.0
  O  O10  1  0.441  0.173  0.974  1.0
[/CIF]
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The structure described by CoCuP2O7 crystallizes in the triclinic P1 space group. Co(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted CoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. Cu(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. There are two inequivalent P sites. In the first P site, P(1) 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(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-60°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(4), 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(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-59°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Co(1), one Cu(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Co(1), one Cu(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Co(1), one Cu(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Co(1), one Cu(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Co(1), one Cu(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Co(1), one Cu(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CoCuP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.593
_cell_length_b   5.364
_cell_length_c   5.393
_cell_angle_alpha   101.434
_cell_angle_beta   100.937
_cell_angle_gamma   100.890
_symmetry_Int_Tables_number   1
_cell_volume   124.268
_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  0.719  0.103  0.284  1.0
  Cu  Cu1  1  0.726  0.481  0.909  1.0
  P  P2  1  0.316  0.581  0.401  1.0
  P  P3  1  0.131  0.994  0.808  1.0
  O  O4  1  0.222  0.762  0.629  1.0
  O  O5  1  0.505  0.416  0.536  1.0
  O  O6  1  0.942  0.857  0.974  1.0
  O  O7  1  0.957  0.143  0.648  1.0
  O  O8  1  0.493  0.743  0.253  1.0
  O  O9  1  0.009  0.413  0.219  1.0
  O  O10  1  0.441  0.173  0.974  1.0
[/CIF]
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