The compound described by Li6CoNiP2(CO7)2 crystallizes in the monoclinic Pm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(10), one O(2), and two equivalent O(11) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(9), and two equivalent O(12) atoms. In the third Li site, Li(3) is bonded to one O(11), one O(2), one O(3), one O(4), and one O(5) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 66-84°. In the fourth Li site, Li(4) is bonded to one O(12), one O(6), one O(7), one O(8), and one O(9) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra, and edges with two equivalent Li(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 66-86°. Co(1) is bonded to one O(10), one O(5), one O(7), one O(8), and two equivalent O(12) atoms to form distorted CoO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Li(4)O5 trigonal bipyramids, and edges with two equivalent Li(4)O5 trigonal bipyramids. Ni(1) is bonded to one O(1), one O(3), one O(4), one O(6), and two equivalent O(11) atoms to form distorted NiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Li(4)O5 trigonal bipyramids, and edges with two equivalent Li(3)O5 trigonal bipyramids. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(9) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(10), one O(2), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form PO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Li(4)O5 trigonal bipyramids, and corners with four equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 44-61°. In the second P site, P(2) is bonded to one O(4), one O(6), and two equivalent O(12) atoms to form PO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, and corners with four equivalent Li(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 43-59°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Ni(1), and one C(1) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(3), and one C(2) atom to form OLi3C tetrahedra that share  a cornercorner with one O(8)Li2CoC trigonal pyramid, corners with two equivalent O(3)Li2NiC trigonal pyramids, corners with two equivalent O(4)Li2NiP trigonal pyramids, corners with four equivalent O(11)Li2NiP trigonal pyramids, and  an edgeedge with one O(5)Li2CoP tetrahedra. In the third O site, O(3) is bonded to two equivalent Li(3), one Ni(1), and one C(1) atom to form distorted OLi2NiC trigonal pyramids that share  a cornercorner with one O(6)Li2NiP tetrahedra,  a cornercorner with one O(9)Li3C tetrahedra, corners with two equivalent O(5)Li2CoP tetrahedra, corners with two equivalent O(2)Li3C tetrahedra,  a cornercorner with one O(4)Li2NiP trigonal pyramid, corners with four equivalent O(11)Li2NiP trigonal pyramids, and  an edgeedge with one O(4)Li2NiP trigonal pyramid. In the fourth O site, O(4) is bonded to two equivalent Li(3), one Ni(1), and one P(2) atom to form distorted OLi2NiP trigonal pyramids that share corners with two equivalent O(5)Li2CoP tetrahedra, corners with two equivalent O(6)Li2NiP tetrahedra, corners with two equivalent O(2)Li3C tetrahedra,  a cornercorner with one O(3)Li2NiC trigonal pyramid, corners with two equivalent O(12)Li2CoP trigonal pyramids,  an edgeedge with one O(3)Li2NiC trigonal pyramid, and edges with two equivalent O(11)Li2NiP trigonal pyramids. In the fifth O site, O(5) is bonded to two equivalent Li(3), one Co(1), and one P(1) atom to form distorted OLi2CoP tetrahedra that share  a cornercorner with one O(8)Li2CoC trigonal pyramid, corners with two equivalent O(12)Li2CoP trigonal pyramids, corners with two equivalent O(7)Li2CoP trigonal pyramids, corners with two equivalent O(3)Li2NiC trigonal pyramids, corners with two equivalent O(4)Li2NiP trigonal pyramids, corners with four equivalent O(11)Li2NiP trigonal pyramids, and  an edgeedge with one O(2)Li3C tetrahedra. In the sixth O site, O(6) is bonded to two equivalent Li(4), one Ni(1), and one P(2) atom to form distorted OLi2NiP tetrahedra that share  a cornercorner with one O(3)Li2NiC trigonal pyramid, corners with two equivalent O(8)Li2CoC trigonal pyramids, corners with two equivalent O(7)Li2CoP trigonal pyramids, corners with two equivalent O(11)Li2NiP trigonal pyramids, corners with two equivalent O(4)Li2NiP trigonal pyramids, corners with four equivalent O(12)Li2CoP trigonal pyramids, and  an edgeedge with one O(9)Li3C tetrahedra. In the seventh O site, O(7) is bonded to two equivalent Li(4), one Co(1), and one P(1) atom to form distorted OLi2CoP trigonal pyramids that share corners with two equivalent O(5)Li2CoP tetrahedra, corners with two equivalent O(6)Li2NiP tetrahedra, corners with two equivalent O(9)Li3C tetrahedra,  a cornercorner with one O(8)Li2CoC trigonal pyramid, corners with two equivalent O(11)Li2NiP trigonal pyramids,  an edgeedge with one O(8)Li2CoC trigonal pyramid, and edges with two equivalent O(12)Li2CoP trigonal pyramids. In the eighth O site, O(8) is bonded to two equivalent Li(4), one Co(1), and one C(2) atom to form distorted OLi2CoC trigonal pyramids that share  a cornercorner with one O(5)Li2CoP tetrahedra,  a cornercorner with one O(2)Li3C tetrahedra, corners with two equivalent O(6)Li2NiP tetrahedra, corners with two equivalent O(9)Li3C tetrahedra,  a cornercorner with one O(7)Li2CoP trigonal pyramid, corners with four equivalent O(12)Li2CoP trigonal pyramids, and  an edgeedge with one O(7)Li2CoP trigonal pyramid. In the ninth O site, O(9) is bonded to one Li(2), two equivalent Li(4), and one C(1) atom to form OLi3C tetrahedra that share  a cornercorner with one O(3)Li2NiC trigonal pyramid, corners with two equivalent O(8)Li2CoC trigonal pyramids, corners with two equivalent O(7)Li2CoP trigonal pyramids, corners with four equivalent O(12)Li2CoP trigonal pyramids, and  an edgeedge with one O(6)Li2NiP tetrahedra. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one C(2) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Ni(1), and one P(1) atom to form distorted OLi2NiP trigonal pyramids that share  a cornercorner with one O(6)Li2NiP tetrahedra, corners with two equivalent O(5)Li2CoP tetrahedra, corners with two equivalent O(2)Li3C tetrahedra,  a cornercorner with one O(7)Li2CoP trigonal pyramid,  a cornercorner with one O(11)Li2NiP trigonal pyramid, corners with two equivalent O(3)Li2NiC trigonal pyramids,  an edgeedge with one O(11)Li2NiP trigonal pyramid, and  an edgeedge with one O(4)Li2NiP trigonal pyramid. In the twelfth O site, O(12) is bonded to one Li(2), one Li(4), one Co(1), and one P(2) atom to form distorted OLi2CoP trigonal pyramids that share  a cornercorner with one O(5)Li2CoP tetrahedra, corners with two equivalent O(6)Li2NiP tetrahedra, corners with two equivalent O(9)Li3C tetrahedra,  a cornercorner with one O(12)Li2CoP trigonal pyramid,  a cornercorner with one O(4)Li2NiP trigonal pyramid, corners with two equivalent O(8)Li2CoC trigonal pyramids,  an edgeedge with one O(12)Li2CoP trigonal pyramid, and  an edgeedge with one O(7)Li2CoP trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li6CoNiP2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.993
_cell_length_b   6.435
_cell_length_c   8.425
_cell_angle_alpha   90.000
_cell_angle_beta   95.784
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   269.297
_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
  C  C0  1  0.315  0.250  0.042  1.0
  C  C1  1  0.684  0.750  0.960  1.0
  Co  Co2  1  0.788  0.750  0.667  1.0
  Li  Li3  1  0.211  0.750  0.104  1.0
  Li  Li4  1  0.788  0.250  0.896  1.0
  Li  Li5  1  0.736  0.983  0.274  1.0
  Li  Li6  1  0.736  0.517  0.274  1.0
  Li  Li7  1  0.266  0.485  0.726  1.0
  Li  Li8  1  0.266  0.015  0.726  1.0
  Ni  Ni9  1  0.207  0.250  0.332  1.0
  O  O10  1  0.065  0.250  0.071  1.0
  O  O11  1  0.614  0.750  0.104  1.0
  O  O12  1  0.497  0.250  0.165  1.0
  O  O13  1  0.838  0.250  0.421  1.0
  O  O14  1  0.586  0.750  0.433  1.0
  O  O15  1  0.417  0.250  0.563  1.0
  O  O16  1  0.167  0.750  0.578  1.0
  O  O17  1  0.500  0.750  0.838  1.0
  O  O18  1  0.385  0.250  0.898  1.0
  O  O19  1  0.933  0.750  0.931  1.0
  O  O20  1  0.165  0.938  0.306  1.0
  O  O21  1  0.165  0.562  0.306  1.0
  O  O22  1  0.835  0.063  0.693  1.0
  O  O23  1  0.835  0.437  0.693  1.0
  P  P24  1  0.271  0.750  0.412  1.0
  P  P25  1  0.732  0.250  0.586  1.0
[/CIF]
.
The compound described by Li6CoNiP2(CO7)2 crystallizes in the monoclinic Pm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(10), one O(2), and two equivalent O(11) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(9), and two equivalent O(12) atoms. In the third Li site, Li(3) is bonded to one O(11), one O(2), one O(3), one O(4), and one O(5) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 66-84°. In the fourth Li site, Li(4) is bonded to one O(12), one O(6), one O(7), one O(8), and one O(9) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra, and edges with two equivalent Li(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 66-86°. Co(1) is bonded to one O(10), one O(5), one O(7), one O(8), and two equivalent O(12) atoms to form distorted CoO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Li(4)O5 trigonal bipyramids, and edges with two equivalent Li(4)O5 trigonal bipyramids. Ni(1) is bonded to one O(1), one O(3), one O(4), one O(6), and two equivalent O(11) atoms to form distorted NiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Li(4)O5 trigonal bipyramids, and edges with two equivalent Li(3)O5 trigonal bipyramids. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(9) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(10), one O(2), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form PO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Li(4)O5 trigonal bipyramids, and corners with four equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 44-61°. In the second P site, P(2) is bonded to one O(4), one O(6), and two equivalent O(12) atoms to form PO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, and corners with four equivalent Li(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 43-59°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Ni(1), and one C(1) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(3), and one C(2) atom to form OLi3C tetrahedra that share  a cornercorner with one O(8)Li2CoC trigonal pyramid, corners with two equivalent O(3)Li2NiC trigonal pyramids, corners with two equivalent O(4)Li2NiP trigonal pyramids, corners with four equivalent O(11)Li2NiP trigonal pyramids, and  an edgeedge with one O(5)Li2CoP tetrahedra. In the third O site, O(3) is bonded to two equivalent Li(3), one Ni(1), and one C(1) atom to form distorted OLi2NiC trigonal pyramids that share  a cornercorner with one O(6)Li2NiP tetrahedra,  a cornercorner with one O(9)Li3C tetrahedra, corners with two equivalent O(5)Li2CoP tetrahedra, corners with two equivalent O(2)Li3C tetrahedra,  a cornercorner with one O(4)Li2NiP trigonal pyramid, corners with four equivalent O(11)Li2NiP trigonal pyramids, and  an edgeedge with one O(4)Li2NiP trigonal pyramid. In the fourth O site, O(4) is bonded to two equivalent Li(3), one Ni(1), and one P(2) atom to form distorted OLi2NiP trigonal pyramids that share corners with two equivalent O(5)Li2CoP tetrahedra, corners with two equivalent O(6)Li2NiP tetrahedra, corners with two equivalent O(2)Li3C tetrahedra,  a cornercorner with one O(3)Li2NiC trigonal pyramid, corners with two equivalent O(12)Li2CoP trigonal pyramids,  an edgeedge with one O(3)Li2NiC trigonal pyramid, and edges with two equivalent O(11)Li2NiP trigonal pyramids. In the fifth O site, O(5) is bonded to two equivalent Li(3), one Co(1), and one P(1) atom to form distorted OLi2CoP tetrahedra that share  a cornercorner with one O(8)Li2CoC trigonal pyramid, corners with two equivalent O(12)Li2CoP trigonal pyramids, corners with two equivalent O(7)Li2CoP trigonal pyramids, corners with two equivalent O(3)Li2NiC trigonal pyramids, corners with two equivalent O(4)Li2NiP trigonal pyramids, corners with four equivalent O(11)Li2NiP trigonal pyramids, and  an edgeedge with one O(2)Li3C tetrahedra. In the sixth O site, O(6) is bonded to two equivalent Li(4), one Ni(1), and one P(2) atom to form distorted OLi2NiP tetrahedra that share  a cornercorner with one O(3)Li2NiC trigonal pyramid, corners with two equivalent O(8)Li2CoC trigonal pyramids, corners with two equivalent O(7)Li2CoP trigonal pyramids, corners with two equivalent O(11)Li2NiP trigonal pyramids, corners with two equivalent O(4)Li2NiP trigonal pyramids, corners with four equivalent O(12)Li2CoP trigonal pyramids, and  an edgeedge with one O(9)Li3C tetrahedra. In the seventh O site, O(7) is bonded to two equivalent Li(4), one Co(1), and one P(1) atom to form distorted OLi2CoP trigonal pyramids that share corners with two equivalent O(5)Li2CoP tetrahedra, corners with two equivalent O(6)Li2NiP tetrahedra, corners with two equivalent O(9)Li3C tetrahedra,  a cornercorner with one O(8)Li2CoC trigonal pyramid, corners with two equivalent O(11)Li2NiP trigonal pyramids,  an edgeedge with one O(8)Li2CoC trigonal pyramid, and edges with two equivalent O(12)Li2CoP trigonal pyramids. In the eighth O site, O(8) is bonded to two equivalent Li(4), one Co(1), and one C(2) atom to form distorted OLi2CoC trigonal pyramids that share  a cornercorner with one O(5)Li2CoP tetrahedra,  a cornercorner with one O(2)Li3C tetrahedra, corners with two equivalent O(6)Li2NiP tetrahedra, corners with two equivalent O(9)Li3C tetrahedra,  a cornercorner with one O(7)Li2CoP trigonal pyramid, corners with four equivalent O(12)Li2CoP trigonal pyramids, and  an edgeedge with one O(7)Li2CoP trigonal pyramid. In the ninth O site, O(9) is bonded to one Li(2), two equivalent Li(4), and one C(1) atom to form OLi3C tetrahedra that share  a cornercorner with one O(3)Li2NiC trigonal pyramid, corners with two equivalent O(8)Li2CoC trigonal pyramids, corners with two equivalent O(7)Li2CoP trigonal pyramids, corners with four equivalent O(12)Li2CoP trigonal pyramids, and  an edgeedge with one O(6)Li2NiP tetrahedra. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one C(2) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Ni(1), and one P(1) atom to form distorted OLi2NiP trigonal pyramids that share  a cornercorner with one O(6)Li2NiP tetrahedra, corners with two equivalent O(5)Li2CoP tetrahedra, corners with two equivalent O(2)Li3C tetrahedra,  a cornercorner with one O(7)Li2CoP trigonal pyramid,  a cornercorner with one O(11)Li2NiP trigonal pyramid, corners with two equivalent O(3)Li2NiC trigonal pyramids,  an edgeedge with one O(11)Li2NiP trigonal pyramid, and  an edgeedge with one O(4)Li2NiP trigonal pyramid. In the twelfth O site, O(12) is bonded to one Li(2), one Li(4), one Co(1), and one P(2) atom to form distorted OLi2CoP trigonal pyramids that share  a cornercorner with one O(5)Li2CoP tetrahedra, corners with two equivalent O(6)Li2NiP tetrahedra, corners with two equivalent O(9)Li3C tetrahedra,  a cornercorner with one O(12)Li2CoP trigonal pyramid,  a cornercorner with one O(4)Li2NiP trigonal pyramid, corners with two equivalent O(8)Li2CoC trigonal pyramids,  an edgeedge with one O(12)Li2CoP trigonal pyramid, and  an edgeedge with one O(7)Li2CoP trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li6CoNiP2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.993
_cell_length_b   6.435
_cell_length_c   8.425
_cell_angle_alpha   90.000
_cell_angle_beta   95.784
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   269.297
_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
  C  C0  1  0.315  0.250  0.042  1.0
  C  C1  1  0.684  0.750  0.960  1.0
  Co  Co2  1  0.788  0.750  0.667  1.0
  Li  Li3  1  0.211  0.750  0.104  1.0
  Li  Li4  1  0.788  0.250  0.896  1.0
  Li  Li5  1  0.736  0.983  0.274  1.0
  Li  Li6  1  0.736  0.517  0.274  1.0
  Li  Li7  1  0.266  0.485  0.726  1.0
  Li  Li8  1  0.266  0.015  0.726  1.0
  Ni  Ni9  1  0.207  0.250  0.332  1.0
  O  O10  1  0.065  0.250  0.071  1.0
  O  O11  1  0.614  0.750  0.104  1.0
  O  O12  1  0.497  0.250  0.165  1.0
  O  O13  1  0.838  0.250  0.421  1.0
  O  O14  1  0.586  0.750  0.433  1.0
  O  O15  1  0.417  0.250  0.563  1.0
  O  O16  1  0.167  0.750  0.578  1.0
  O  O17  1  0.500  0.750  0.838  1.0
  O  O18  1  0.385  0.250  0.898  1.0
  O  O19  1  0.933  0.750  0.931  1.0
  O  O20  1  0.165  0.938  0.306  1.0
  O  O21  1  0.165  0.562  0.306  1.0
  O  O22  1  0.835  0.063  0.693  1.0
  O  O23  1  0.835  0.437  0.693  1.0
  P  P24  1  0.271  0.750  0.412  1.0
  P  P25  1  0.732  0.250  0.586  1.0
[/CIF]
.