The compound described by LiCoP2O7 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(16), one O(24), one O(25), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(15), one O(23), one O(26), and one O(4) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(13), one O(21), and one O(27) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(14), one O(2), one O(22), and one O(28) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a square co-planar geometry to one O(14), one O(18), one O(2), and one O(8) atom. In the second Co site, Co(2) is bonded in a rectangular see-saw-like geometry to one O(16), one O(19), one O(3), and one O(6) atom. In the third Co site, Co(3) is bonded in a square co-planar geometry to one O(1), one O(13), one O(17), and one O(7) atom. In the fourth Co site, Co(4) is bonded in a rectangular see-saw-like geometry to one O(15), one O(20), one O(4), and one O(5) atom. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(21), one O(3), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and corners with two equivalent Li(3)O4 tetrahedra. In the second P site, P(2) is bonded to one O(10), one O(14), one O(22), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and corners with two equivalent Li(4)O4 tetrahedra. In the third P site, P(3) is bonded to one O(1), one O(11), one O(15), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and corners with two equivalent Li(2)O4 tetrahedra. In the fourth P site, P(4) is bonded to one O(12), one O(16), one O(2), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and corners with two equivalent Li(1)O4 tetrahedra. In the fifth P site, P(5) is bonded to one O(11), one O(17), one O(27), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra and  a cornercorner with one P(3)O4 tetrahedra. In the sixth P site, P(6) is bonded to one O(12), one O(18), one O(28), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra and  a cornercorner with one P(4)O4 tetrahedra. In the seventh P site, P(7) is bonded to one O(19), one O(25), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra and  a cornercorner with one P(1)O4 tetrahedra. In the eighth P site, P(8) is bonded to one O(10), one O(20), one O(26), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra and  a cornercorner with one P(2)O4 tetrahedra. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(3), and one P(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(4), one Co(1), and one P(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(4), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Co(4) and one P(5) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Co(2) and one P(6) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Co(3) and one P(7) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Co(1) and one P(8) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one P(1) and one P(7) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one P(2) and one P(8) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one P(3) and one P(5) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(4) and one P(6) 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(2), 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(1), one Co(2), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Co(3) and one P(5) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one P(6) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one Co(2) and one P(7) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Co(4) and one P(8) atom. In the twenty-first O site, O(21) is bonded in a distorted bent 120 degrees geometry to one Li(3) and one P(1) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 150 degrees geometry to one Li(4) and one P(2) atom. In the twenty-third O site, O(23) is bonded in a distorted bent 120 degrees geometry to one Li(2) and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one P(4) atom. In the twenty-fifth O site, O(25) is bonded in a bent 150 degrees geometry to one Li(1) and one P(7) atom. In the twenty-sixth O site, O(26) is bonded in a bent 150 degrees geometry to one Li(2) and one P(8) atom. In the twenty-seventh O site, O(27) is bonded in a bent 150 degrees geometry to one Li(3) and one P(5) atom. In the twenty-eighth O site, O(28) is bonded in a bent 150 degrees geometry to one Li(4) and one P(6) atom. is represented by the CIF file [CIF]
data_LiCoP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.056
_cell_length_b   16.659
_cell_length_c   8.011
_cell_angle_alpha   91.460
_cell_angle_beta   71.935
_cell_angle_gamma   81.884
_symmetry_Int_Tables_number   1
_cell_volume   633.392
_cell_formula_units_Z   4
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
  Li  Li0  1  1.000  0.481  0.378  1.0
  Li  Li1  1  0.496  0.979  0.876  1.0
  Li  Li2  1  0.891  0.230  0.127  1.0
  Li  Li3  1  0.391  0.731  0.630  1.0
  Co  Co4  1  0.730  0.753  0.250  1.0
  Co  Co5  1  0.028  0.506  0.994  1.0
  Co  Co6  1  0.226  0.255  0.743  1.0
  Co  Co7  1  0.520  0.004  0.492  1.0
  P  P8  1  0.406  0.346  0.045  1.0
  P  P9  1  0.906  0.845  0.543  1.0
  P  P10  1  0.956  0.093  0.793  1.0
  P  P11  1  0.461  0.595  0.292  1.0
  P  P12  1  0.087  0.151  0.449  1.0
  P  P13  1  0.597  0.654  0.953  1.0
  P  P14  1  0.559  0.404  0.702  1.0
  P  P15  1  0.050  0.900  0.200  1.0
  O  O16  1  0.008  0.175  0.869  1.0
  O  O17  1  0.513  0.677  0.370  1.0
  O  O18  1  0.198  0.426  0.121  1.0
  O  O19  1  0.693  0.924  0.619  1.0
  O  O20  1  0.331  0.078  0.384  1.0
  O  O21  1  0.839  0.581  0.888  1.0
  O  O22  1  0.445  0.331  0.637  1.0
  O  O23  1  0.951  0.824  0.132  1.0
  O  O24  1  0.647  0.371  0.871  1.0
  O  O25  1  0.144  0.870  0.370  1.0
  O  O26  1  0.863  0.118  0.618  1.0
  O  O27  1  0.369  0.619  0.119  1.0
  O  O28  1  0.244  0.287  0.972  1.0
  O  O29  1  0.744  0.785  0.471  1.0
  O  O30  1  0.247  0.036  0.720  1.0
  O  O31  1  0.750  0.537  0.222  1.0
  O  O32  1  0.193  0.220  0.533  1.0
  O  O33  1  0.705  0.723  0.035  1.0
  O  O34  1  0.306  0.473  0.785  1.0
  O  O35  1  0.792  0.967  0.282  1.0
  O  O36  1  0.556  0.309  0.163  1.0
  O  O37  1  0.053  0.808  0.662  1.0
  O  O38  1  0.725  0.056  0.912  1.0
  O  O39  1  0.228  0.560  0.414  1.0
  O  O40  1  0.806  0.429  0.572  1.0
  O  O41  1  0.292  0.926  0.067  1.0
  O  O42  1  0.944  0.176  0.319  1.0
  O  O43  1  0.460  0.680  0.821  1.0
[/CIF]
.
The compound described by LiCoP2O7 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(16), one O(24), one O(25), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(15), one O(23), one O(26), and one O(4) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(13), one O(21), and one O(27) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(14), one O(2), one O(22), and one O(28) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a square co-planar geometry to one O(14), one O(18), one O(2), and one O(8) atom. In the second Co site, Co(2) is bonded in a rectangular see-saw-like geometry to one O(16), one O(19), one O(3), and one O(6) atom. In the third Co site, Co(3) is bonded in a square co-planar geometry to one O(1), one O(13), one O(17), and one O(7) atom. In the fourth Co site, Co(4) is bonded in a rectangular see-saw-like geometry to one O(15), one O(20), one O(4), and one O(5) atom. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(21), one O(3), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and corners with two equivalent Li(3)O4 tetrahedra. In the second P site, P(2) is bonded to one O(10), one O(14), one O(22), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and corners with two equivalent Li(4)O4 tetrahedra. In the third P site, P(3) is bonded to one O(1), one O(11), one O(15), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and corners with two equivalent Li(2)O4 tetrahedra. In the fourth P site, P(4) is bonded to one O(12), one O(16), one O(2), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and corners with two equivalent Li(1)O4 tetrahedra. In the fifth P site, P(5) is bonded to one O(11), one O(17), one O(27), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra and  a cornercorner with one P(3)O4 tetrahedra. In the sixth P site, P(6) is bonded to one O(12), one O(18), one O(28), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra and  a cornercorner with one P(4)O4 tetrahedra. In the seventh P site, P(7) is bonded to one O(19), one O(25), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra and  a cornercorner with one P(1)O4 tetrahedra. In the eighth P site, P(8) is bonded to one O(10), one O(20), one O(26), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra and  a cornercorner with one P(2)O4 tetrahedra. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(3), and one P(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(4), one Co(1), and one P(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(4), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Co(4) and one P(5) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Co(2) and one P(6) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Co(3) and one P(7) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Co(1) and one P(8) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one P(1) and one P(7) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one P(2) and one P(8) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one P(3) and one P(5) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(4) and one P(6) 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(2), 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(1), one Co(2), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Co(3) and one P(5) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one P(6) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one Co(2) and one P(7) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Co(4) and one P(8) atom. In the twenty-first O site, O(21) is bonded in a distorted bent 120 degrees geometry to one Li(3) and one P(1) atom. In the twenty-second O site, O(22) is bonded in a distorted bent 150 degrees geometry to one Li(4) and one P(2) atom. In the twenty-third O site, O(23) is bonded in a distorted bent 120 degrees geometry to one Li(2) and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one P(4) atom. In the twenty-fifth O site, O(25) is bonded in a bent 150 degrees geometry to one Li(1) and one P(7) atom. In the twenty-sixth O site, O(26) is bonded in a bent 150 degrees geometry to one Li(2) and one P(8) atom. In the twenty-seventh O site, O(27) is bonded in a bent 150 degrees geometry to one Li(3) and one P(5) atom. In the twenty-eighth O site, O(28) is bonded in a bent 150 degrees geometry to one Li(4) and one P(6) atom. is represented by the CIF file [CIF]
data_LiCoP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.056
_cell_length_b   16.659
_cell_length_c   8.011
_cell_angle_alpha   91.460
_cell_angle_beta   71.935
_cell_angle_gamma   81.884
_symmetry_Int_Tables_number   1
_cell_volume   633.392
_cell_formula_units_Z   4
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
  Li  Li0  1  1.000  0.481  0.378  1.0
  Li  Li1  1  0.496  0.979  0.876  1.0
  Li  Li2  1  0.891  0.230  0.127  1.0
  Li  Li3  1  0.391  0.731  0.630  1.0
  Co  Co4  1  0.730  0.753  0.250  1.0
  Co  Co5  1  0.028  0.506  0.994  1.0
  Co  Co6  1  0.226  0.255  0.743  1.0
  Co  Co7  1  0.520  0.004  0.492  1.0
  P  P8  1  0.406  0.346  0.045  1.0
  P  P9  1  0.906  0.845  0.543  1.0
  P  P10  1  0.956  0.093  0.793  1.0
  P  P11  1  0.461  0.595  0.292  1.0
  P  P12  1  0.087  0.151  0.449  1.0
  P  P13  1  0.597  0.654  0.953  1.0
  P  P14  1  0.559  0.404  0.702  1.0
  P  P15  1  0.050  0.900  0.200  1.0
  O  O16  1  0.008  0.175  0.869  1.0
  O  O17  1  0.513  0.677  0.370  1.0
  O  O18  1  0.198  0.426  0.121  1.0
  O  O19  1  0.693  0.924  0.619  1.0
  O  O20  1  0.331  0.078  0.384  1.0
  O  O21  1  0.839  0.581  0.888  1.0
  O  O22  1  0.445  0.331  0.637  1.0
  O  O23  1  0.951  0.824  0.132  1.0
  O  O24  1  0.647  0.371  0.871  1.0
  O  O25  1  0.144  0.870  0.370  1.0
  O  O26  1  0.863  0.118  0.618  1.0
  O  O27  1  0.369  0.619  0.119  1.0
  O  O28  1  0.244  0.287  0.972  1.0
  O  O29  1  0.744  0.785  0.471  1.0
  O  O30  1  0.247  0.036  0.720  1.0
  O  O31  1  0.750  0.537  0.222  1.0
  O  O32  1  0.193  0.220  0.533  1.0
  O  O33  1  0.705  0.723  0.035  1.0
  O  O34  1  0.306  0.473  0.785  1.0
  O  O35  1  0.792  0.967  0.282  1.0
  O  O36  1  0.556  0.309  0.163  1.0
  O  O37  1  0.053  0.808  0.662  1.0
  O  O38  1  0.725  0.056  0.912  1.0
  O  O39  1  0.228  0.560  0.414  1.0
  O  O40  1  0.806  0.429  0.572  1.0
  O  O41  1  0.292  0.926  0.067  1.0
  O  O42  1  0.944  0.176  0.319  1.0
  O  O43  1  0.460  0.680  0.821  1.0
[/CIF]
.