The material structure described by Li2CoP2O7 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted see-saw-like geometry to one O(10), one O(15), one O(17), and one O(5) atom. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one O(16), one O(18), one O(6), and one O(9) atom. In the third Li site, Li(3) is bonded in a distorted see-saw-like geometry to one O(11), one O(13), one O(19), and one O(7) atom. In the fourth Li site, Li(4) is bonded in a distorted see-saw-like geometry to one O(12), one O(14), one O(20), and one O(8) atom. In the fifth Li site, Li(5) is bonded in a rectangular see-saw-like geometry to one O(17), one O(21), one O(4), and one O(5) atom. In the sixth Li site, Li(6) is bonded in a rectangular see-saw-like geometry to one O(18), one O(22), one O(3), and one O(6) atom. In the seventh Li site, Li(7) is bonded in a rectangular see-saw-like geometry to one O(19), one O(2), one O(24), and one O(7) atom. In the eighth Li site, Li(8) is bonded in a rectangular see-saw-like geometry to one O(1), one O(20), one O(23), and one O(8) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(12), one O(14), one O(18), one O(2), one O(22), and one O(6) atom to form distorted CoO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and corners with two equivalent P(8)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(16), one O(19), one O(24), one O(4), one O(7), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(6)O4 tetrahedra. In the third Co site, Co(3) is bonded to one O(1), one O(11), one O(13), one O(17), one O(21), and one O(5) atom to form distorted CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(7)O4 tetrahedra. In the fourth Co site, Co(4) is bonded to one O(10), one O(15), one O(20), one O(23), one O(3), and one O(8) atom to form CoO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(5)O4 tetrahedra. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(19), one O(25), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the second P site, P(2) is bonded to one O(10), one O(14), one O(20), and one O(26) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(4)O6 octahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the third P site, P(3) is bonded to one O(11), one O(15), one O(17), and one O(27) atom to form PO4 tetrahedra that share  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the fourth P site, P(4) is bonded to one O(12), one O(16), one O(18), and one O(28) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the fifth P site, P(5) is bonded to one O(23), one O(27), one O(3), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(4)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-52°. In the sixth P site, P(6) is bonded to one O(24), one O(28), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-52°. In the seventh P site, P(7) is bonded to one O(1), one O(21), one O(25), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-52°. In the eighth P site, P(8) is bonded to one O(2), one O(22), one O(26), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-52°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(8), one Co(3), and one P(7) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(7), one Co(1), and one P(8) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(6), one Co(4), and one P(5) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(5), one Co(2), and one P(6) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(5), one Co(3), and one P(6) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(6), one Co(1), and one P(5) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(7), one Co(2), and one P(8) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(8), one Co(4), and one P(7) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(2), one Co(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one Co(4), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(3), one Co(3), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(4), one Co(1), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(3), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(4), one Co(1), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(4), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(2), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(5), one Co(3), and one P(3) atom. In the eighteenth O site, O(18) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(6), one Co(1), and one P(4) atom. In the nineteenth O site, O(19) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(7), one Co(2), and one P(1) atom. In the twentieth O site, O(20) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(8), one Co(4), and one P(2) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(5), one Co(3), and one P(7) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Li(6), one Co(1), and one P(8) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(8), one Co(4), and one P(5) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(7), one Co(2), and one P(6) atom. In the twenty-fifth O site, O(25) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(7) atom. In the twenty-sixth O site, O(26) is bonded in a distorted bent 150 degrees geometry to one P(2) and one P(8) atom. In the twenty-seventh O site, O(27) is bonded in a distorted bent 150 degrees geometry to one P(3) and one P(5) atom. In the twenty-eighth O site, O(28) is bonded in a distorted bent 150 degrees geometry to one P(4) and one P(6) atom. is represented by the CIF card [CIF]
data_Li2CoP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.026
_cell_length_b   7.167
_cell_length_c   8.386
_cell_angle_alpha   90.132
_cell_angle_beta   90.032
_cell_angle_gamma   70.464
_symmetry_Int_Tables_number   1
_cell_volume   284.636
_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  0.198  0.278  0.505  1.0
  Co  Co1  1  0.800  0.721  0.005  1.0
  Li  Li2  1  0.177  0.352  0.147  1.0
  Li  Li3  1  0.824  0.649  0.647  1.0
  Li  Li4  1  0.649  0.086  0.321  1.0
  Li  Li5  1  0.351  0.914  0.821  1.0
  O  O6  1  0.073  0.107  0.684  1.0
  O  O7  1  0.927  0.893  0.184  1.0
  O  O8  1  0.198  0.108  0.295  1.0
  O  O9  1  0.802  0.893  0.794  1.0
  O  O10  1  0.199  0.513  0.962  1.0
  O  O11  1  0.801  0.488  0.463  1.0
  O  O12  1  0.221  0.494  0.660  1.0
  O  O13  1  0.780  0.506  0.160  1.0
  O  O14  1  0.436  0.381  0.310  1.0
  O  O15  1  0.564  0.620  0.810  1.0
  O  O16  1  0.616  0.102  0.552  1.0
  O  O17  1  0.385  0.897  0.053  1.0
  O  O18  1  0.603  0.256  0.831  1.0
  O  O19  1  0.397  0.745  0.332  1.0
  P  P20  1  0.387  0.481  0.814  1.0
  P  P21  1  0.613  0.519  0.314  1.0
  P  P22  1  0.218  0.914  0.208  1.0
  P  P23  1  0.782  0.085  0.707  1.0
[/CIF]
.
The material structure described by Li2CoP2O7 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted see-saw-like geometry to one O(10), one O(15), one O(17), and one O(5) atom. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one O(16), one O(18), one O(6), and one O(9) atom. In the third Li site, Li(3) is bonded in a distorted see-saw-like geometry to one O(11), one O(13), one O(19), and one O(7) atom. In the fourth Li site, Li(4) is bonded in a distorted see-saw-like geometry to one O(12), one O(14), one O(20), and one O(8) atom. In the fifth Li site, Li(5) is bonded in a rectangular see-saw-like geometry to one O(17), one O(21), one O(4), and one O(5) atom. In the sixth Li site, Li(6) is bonded in a rectangular see-saw-like geometry to one O(18), one O(22), one O(3), and one O(6) atom. In the seventh Li site, Li(7) is bonded in a rectangular see-saw-like geometry to one O(19), one O(2), one O(24), and one O(7) atom. In the eighth Li site, Li(8) is bonded in a rectangular see-saw-like geometry to one O(1), one O(20), one O(23), and one O(8) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(12), one O(14), one O(18), one O(2), one O(22), and one O(6) atom to form distorted CoO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and corners with two equivalent P(8)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(16), one O(19), one O(24), one O(4), one O(7), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(6)O4 tetrahedra. In the third Co site, Co(3) is bonded to one O(1), one O(11), one O(13), one O(17), one O(21), and one O(5) atom to form distorted CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(7)O4 tetrahedra. In the fourth Co site, Co(4) is bonded to one O(10), one O(15), one O(20), one O(23), one O(3), and one O(8) atom to form CoO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(5)O4 tetrahedra. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(19), one O(25), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the second P site, P(2) is bonded to one O(10), one O(14), one O(20), and one O(26) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(4)O6 octahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the third P site, P(3) is bonded to one O(11), one O(15), one O(17), and one O(27) atom to form PO4 tetrahedra that share  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the fourth P site, P(4) is bonded to one O(12), one O(16), one O(18), and one O(28) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the fifth P site, P(5) is bonded to one O(23), one O(27), one O(3), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(4)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-52°. In the sixth P site, P(6) is bonded to one O(24), one O(28), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-52°. In the seventh P site, P(7) is bonded to one O(1), one O(21), one O(25), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-52°. In the eighth P site, P(8) is bonded to one O(2), one O(22), one O(26), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-52°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(8), one Co(3), and one P(7) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(7), one Co(1), and one P(8) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(6), one Co(4), and one P(5) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(5), one Co(2), and one P(6) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(5), one Co(3), and one P(6) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(6), one Co(1), and one P(5) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(7), one Co(2), and one P(8) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(8), one Co(4), and one P(7) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(2), one Co(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one Co(4), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(3), one Co(3), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(4), one Co(1), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(3), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(4), one Co(1), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(4), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(2), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(5), one Co(3), and one P(3) atom. In the eighteenth O site, O(18) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(6), one Co(1), and one P(4) atom. In the nineteenth O site, O(19) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(7), one Co(2), and one P(1) atom. In the twentieth O site, O(20) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(8), one Co(4), and one P(2) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(5), one Co(3), and one P(7) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Li(6), one Co(1), and one P(8) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(8), one Co(4), and one P(5) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(7), one Co(2), and one P(6) atom. In the twenty-fifth O site, O(25) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(7) atom. In the twenty-sixth O site, O(26) is bonded in a distorted bent 150 degrees geometry to one P(2) and one P(8) atom. In the twenty-seventh O site, O(27) is bonded in a distorted bent 150 degrees geometry to one P(3) and one P(5) atom. In the twenty-eighth O site, O(28) is bonded in a distorted bent 150 degrees geometry to one P(4) and one P(6) atom. is represented by the CIF card [CIF]
data_Li2CoP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.026
_cell_length_b   7.167
_cell_length_c   8.386
_cell_angle_alpha   90.132
_cell_angle_beta   90.032
_cell_angle_gamma   70.464
_symmetry_Int_Tables_number   1
_cell_volume   284.636
_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  0.198  0.278  0.505  1.0
  Co  Co1  1  0.800  0.721  0.005  1.0
  Li  Li2  1  0.177  0.352  0.147  1.0
  Li  Li3  1  0.824  0.649  0.647  1.0
  Li  Li4  1  0.649  0.086  0.321  1.0
  Li  Li5  1  0.351  0.914  0.821  1.0
  O  O6  1  0.073  0.107  0.684  1.0
  O  O7  1  0.927  0.893  0.184  1.0
  O  O8  1  0.198  0.108  0.295  1.0
  O  O9  1  0.802  0.893  0.794  1.0
  O  O10  1  0.199  0.513  0.962  1.0
  O  O11  1  0.801  0.488  0.463  1.0
  O  O12  1  0.221  0.494  0.660  1.0
  O  O13  1  0.780  0.506  0.160  1.0
  O  O14  1  0.436  0.381  0.310  1.0
  O  O15  1  0.564  0.620  0.810  1.0
  O  O16  1  0.616  0.102  0.552  1.0
  O  O17  1  0.385  0.897  0.053  1.0
  O  O18  1  0.603  0.256  0.831  1.0
  O  O19  1  0.397  0.745  0.332  1.0
  P  P20  1  0.387  0.481  0.814  1.0
  P  P21  1  0.613  0.519  0.314  1.0
  P  P22  1  0.218  0.914  0.208  1.0
  P  P23  1  0.782  0.085  0.707  1.0
[/CIF]
.