The crystal structure described by NaLi2CoCPO7 crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(1), one O(17), one O(18), one O(21), one O(25), and one O(9) atom. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(10), one O(17), one O(18), one O(2), one O(22), and one O(26) atom. In the third Na site, Na(3) is bonded in a 5-coordinate geometry to one O(12), one O(19), one O(20), one O(24), one O(27), and one O(3) atom. In the fourth Na site, Na(4) is bonded in a 5-coordinate geometry to one O(11), one O(19), one O(20), one O(23), one O(28), and one O(4) atom. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(13), one O(17), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(14), one O(18), one O(2), and one O(7) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(15), one O(19), one O(3), and one O(6) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(16), one O(20), one O(4), and one O(5) atom. In the fifth Li site, Li(5) is bonded to one O(13), one O(2), one O(21), one O(26), and one O(9) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-82°. In the sixth Li site, Li(6) is bonded to one O(1), one O(10), one O(14), one O(22), and one O(25) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  an edgeedge with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-82°. In the seventh Li site, Li(7) is bonded to one O(11), one O(16), one O(23), one O(27), and one O(3) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-81°. In the eighth Li site, Li(8) is bonded to one O(12), one O(15), one O(24), one O(28), and one O(4) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  an edgeedge with one Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-82°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(13), one O(18), one O(21), one O(28), and one O(6) atom to form distorted CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Li(6)O5 trigonal bipyramid,  a cornercorner with one Li(8)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O5 trigonal bipyramid. In the second Co site, Co(2) is bonded to one O(12), one O(16), one O(19), one O(23), one O(26), and one O(8) atom to form distorted CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Li(8)O5 trigonal bipyramid, and  an edgeedge with one Li(7)O5 trigonal bipyramid. In the third Co site, Co(3) is bonded to one O(14), one O(17), one O(22), one O(27), one O(5), and one O(9) atom to form distorted CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid, and  an edgeedge with one Li(6)O5 trigonal bipyramid. In the fourth Co site, Co(4) is bonded to one O(11), one O(15), one O(20), one O(24), one O(25), and one O(7) atom to form distorted CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Li(6)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid, and  an edgeedge with one Li(8)O5 trigonal bipyramid. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(3), one O(5), 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(4), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(1), one O(11), and one O(7) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(12), one O(2), and one O(8) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(17), one O(23), and one O(25) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Li(6)O5 trigonal bipyramid, and  a cornercorner with one Li(7)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-56°. In the second P site, P(2) is bonded to one O(14), one O(18), one O(24), and one O(26) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Li(6)O5 trigonal bipyramid, and  a cornercorner with one Li(8)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-56°. In the third P site, P(3) is bonded to one O(15), one O(19), one O(21), and one O(27) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid, and  a cornercorner with one Li(8)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 40-55°. In the fourth P site, P(4) is bonded to one O(16), one O(20), one O(22), and one O(28) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Li(6)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid, and  a cornercorner with one Li(8)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-57°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Li(1), one Li(6), and one C(3) atom to form distorted ONaLi2C tetrahedra that share  a cornercorner with one O(13)Li2CoP trigonal pyramid,  a cornercorner with one O(14)Li2CoP trigonal pyramid,  a cornercorner with one O(10)NaLiCoC trigonal pyramid,  a cornercorner with one O(11)NaLiCoC trigonal pyramid, and  a cornercorner with one O(9)NaLiCoC trigonal pyramid. In the second O site, O(2) is bonded to one Na(2), one Li(2), one Li(5), and one C(4) atom to form distorted ONaLi2C tetrahedra that share  a cornercorner with one O(13)Li2CoP trigonal pyramid,  a cornercorner with one O(14)Li2CoP trigonal pyramid,  a cornercorner with one O(10)NaLiCoC trigonal pyramid,  a cornercorner with one O(12)NaLiCoC trigonal pyramid, and  a cornercorner with one O(9)NaLiCoC trigonal pyramid. In the third O site, O(3) is bonded to one Na(3), one Li(3), one Li(7), and one C(1) atom to form distorted ONaLi2C tetrahedra that share  a cornercorner with one O(15)Li2CoP trigonal pyramid,  a cornercorner with one O(16)Li2CoP trigonal pyramid,  a cornercorner with one O(11)NaLiCoC trigonal pyramid,  a cornercorner with one O(12)NaLiCoC trigonal pyramid, and  a cornercorner with one O(9)NaLiCoC trigonal pyramid. In the fourth O site, O(4) is bonded to one Na(4), one Li(4), one Li(8), and one C(2) atom to form distorted ONaLi2C tetrahedra that share  a cornercorner with one O(15)Li2CoP trigonal pyramid,  a cornercorner with one O(16)Li2CoP trigonal pyramid,  a cornercorner with one O(10)NaLiCoC trigonal pyramid,  a cornercorner with one O(11)NaLiCoC trigonal pyramid, and  a cornercorner with one O(12)NaLiCoC trigonal pyramid. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Li(4), one Co(3), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Li(3), one Co(1), and one C(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Li(2), one Co(4), and one C(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Co(2), and one C(4) atom. In the ninth O site, O(9) is bonded to one Na(1), one Li(5), one Co(3), and one C(1) atom to form distorted ONaLiCoC trigonal pyramids that share  a cornercorner with one O(1)NaLi2C tetrahedra,  a cornercorner with one O(2)NaLi2C tetrahedra,  a cornercorner with one O(3)NaLi2C tetrahedra,  a cornercorner with one O(13)Li2CoP trigonal pyramid, and  a cornercorner with one O(14)Li2CoP trigonal pyramid. In the tenth O site, O(10) is bonded to one Na(2), one Li(6), one Co(1), and one C(2) atom to form distorted ONaLiCoC trigonal pyramids that share  a cornercorner with one O(1)NaLi2C tetrahedra,  a cornercorner with one O(2)NaLi2C tetrahedra,  a cornercorner with one O(4)NaLi2C tetrahedra,  a cornercorner with one O(13)Li2CoP trigonal pyramid, and  a cornercorner with one O(14)Li2CoP trigonal pyramid. In the eleventh O site, O(11) is bonded to one Na(4), one Li(7), one Co(4), and one C(3) atom to form distorted ONaLiCoC trigonal pyramids that share  a cornercorner with one O(1)NaLi2C tetrahedra,  a cornercorner with one O(3)NaLi2C tetrahedra,  a cornercorner with one O(4)NaLi2C tetrahedra,  a cornercorner with one O(15)Li2CoP trigonal pyramid, and  a cornercorner with one O(16)Li2CoP trigonal pyramid. In the twelfth O site, O(12) is bonded to one Na(3), one Li(8), one Co(2), and one C(4) atom to form distorted ONaLiCoC trigonal pyramids that share  a cornercorner with one O(2)NaLi2C tetrahedra,  a cornercorner with one O(3)NaLi2C tetrahedra,  a cornercorner with one O(4)NaLi2C tetrahedra,  a cornercorner with one O(15)Li2CoP trigonal pyramid, and  a cornercorner with one O(16)Li2CoP trigonal pyramid. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(5), one Co(1), and one P(1) atom to form distorted OLi2CoP trigonal pyramids that share  a cornercorner with one O(1)NaLi2C tetrahedra,  a cornercorner with one O(2)NaLi2C tetrahedra,  a cornercorner with one O(10)NaLiCoC trigonal pyramid, and  a cornercorner with one O(9)NaLiCoC trigonal pyramid. In the fourteenth O site, O(14) is bonded to one Li(2), one Li(6), one Co(3), and one P(2) atom to form distorted OLi2CoP trigonal pyramids that share  a cornercorner with one O(1)NaLi2C tetrahedra,  a cornercorner with one O(2)NaLi2C tetrahedra,  a cornercorner with one O(10)NaLiCoC trigonal pyramid, and  a cornercorner with one O(9)NaLiCoC trigonal pyramid. In the fifteenth O site, O(15) is bonded to one Li(3), one Li(8), one Co(4), and one P(3) atom to form distorted OLi2CoP trigonal pyramids that share  a cornercorner with one O(3)NaLi2C tetrahedra,  a cornercorner with one O(4)NaLi2C tetrahedra,  a cornercorner with one O(11)NaLiCoC trigonal pyramid, and  a cornercorner with one O(12)NaLiCoC trigonal pyramid. In the sixteenth O site, O(16) is bonded to one Li(4), one Li(7), one Co(2), and one P(4) atom to form distorted OLi2CoP trigonal pyramids that share  a cornercorner with one O(3)NaLi2C tetrahedra,  a cornercorner with one O(4)NaLi2C tetrahedra,  a cornercorner with one O(11)NaLiCoC trigonal pyramid, and  a cornercorner with one O(12)NaLiCoC trigonal pyramid. In the seventeenth O site, O(17) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Li(1), one Co(3), and one P(1) atom. In the eighteenth O site, O(18) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Li(2), one Co(1), and one P(2) atom. In the nineteenth O site, O(19) is bonded in a 5-coordinate geometry to one Na(3), one Na(4), one Li(3), one Co(2), and one P(3) atom. In the twentieth O site, O(20) is bonded in a 5-coordinate geometry to one Na(3), one Na(4), one Li(4), one Co(4), and one P(4) atom. In the twenty-first O site, O(21) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Li(5), one Co(1), and one P(3) atom. In the twenty-second O site, O(22) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Li(6), one Co(3), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a distorted rectangular see-saw-like geometry to one Na(4), one Li(7), one Co(2), and one P(1) atom. In the twenty-fourth O site, O(24) is bonded in a distorted rectangular see-saw-like geometry to one Na(3), one Li(8), one Co(4), and one P(2) atom. In the twenty-fifth O site, O(25) is bonded in a 4-coordinate geometry to one Na(1), one Li(6), one Co(4), and one P(1) atom. In the twenty-sixth O site, O(26) is bonded in a 4-coordinate geometry to one Na(2), one Li(5), one Co(2), and one P(2) atom. In the twenty-seventh O site, O(27) is bonded in a 4-coordinate geometry to one Na(3), one Li(7), one Co(3), and one P(3) atom. In the twenty-eighth O site, O(28) is bonded in a 4-coordinate geometry to one Na(4), one Li(8), one Co(1), and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLi2CoPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.083
_cell_length_b   6.601
_cell_length_c   8.527
_cell_angle_alpha   89.977
_cell_angle_beta   95.044
_cell_angle_gamma   89.987
_symmetry_Int_Tables_number   1
_cell_volume   285.028
_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
  C  C0  1  0.691  0.260  0.955  1.0
  C  C1  1  0.310  0.760  0.045  1.0
  Co  Co2  1  0.789  0.249  0.661  1.0
  Co  Co3  1  0.211  0.749  0.339  1.0
  Li  Li4  1  0.786  0.770  0.896  1.0
  Li  Li5  1  0.215  0.270  0.104  1.0
  Li  Li6  1  0.264  0.993  0.727  1.0
  Li  Li7  1  0.736  0.493  0.273  1.0
  Na  Na8  1  0.271  0.517  0.735  1.0
  Na  Na9  1  0.729  0.017  0.265  1.0
  O  O10  1  0.390  0.785  0.907  1.0
  O  O11  1  0.610  0.285  0.093  1.0
  O  O12  1  0.939  0.259  0.930  1.0
  O  O13  1  0.062  0.760  0.070  1.0
  O  O14  1  0.518  0.234  0.833  1.0
  O  O15  1  0.483  0.734  0.167  1.0
  O  O16  1  0.844  0.934  0.690  1.0
  O  O17  1  0.155  0.434  0.310  1.0
  O  O18  1  0.798  0.565  0.697  1.0
  O  O19  1  0.202  0.065  0.303  1.0
  O  O20  1  0.154  0.237  0.572  1.0
  O  O21  1  0.846  0.737  0.428  1.0
  O  O22  1  0.422  0.774  0.560  1.0
  O  O23  1  0.577  0.274  0.440  1.0
  P  P24  1  0.729  0.752  0.589  1.0
  P  P25  1  0.271  0.252  0.411  1.0
[/CIF]
.
The crystal structure described by NaLi2CoCPO7 crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(1), one O(17), one O(18), one O(21), one O(25), and one O(9) atom. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(10), one O(17), one O(18), one O(2), one O(22), and one O(26) atom. In the third Na site, Na(3) is bonded in a 5-coordinate geometry to one O(12), one O(19), one O(20), one O(24), one O(27), and one O(3) atom. In the fourth Na site, Na(4) is bonded in a 5-coordinate geometry to one O(11), one O(19), one O(20), one O(23), one O(28), and one O(4) atom. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(13), one O(17), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(14), one O(18), one O(2), and one O(7) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(15), one O(19), one O(3), and one O(6) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(16), one O(20), one O(4), and one O(5) atom. In the fifth Li site, Li(5) is bonded to one O(13), one O(2), one O(21), one O(26), and one O(9) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-82°. In the sixth Li site, Li(6) is bonded to one O(1), one O(10), one O(14), one O(22), and one O(25) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  an edgeedge with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-82°. In the seventh Li site, Li(7) is bonded to one O(11), one O(16), one O(23), one O(27), and one O(3) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-81°. In the eighth Li site, Li(8) is bonded to one O(12), one O(15), one O(24), one O(28), and one O(4) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  an edgeedge with one Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-82°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(13), one O(18), one O(21), one O(28), and one O(6) atom to form distorted CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Li(6)O5 trigonal bipyramid,  a cornercorner with one Li(8)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O5 trigonal bipyramid. In the second Co site, Co(2) is bonded to one O(12), one O(16), one O(19), one O(23), one O(26), and one O(8) atom to form distorted CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Li(8)O5 trigonal bipyramid, and  an edgeedge with one Li(7)O5 trigonal bipyramid. In the third Co site, Co(3) is bonded to one O(14), one O(17), one O(22), one O(27), one O(5), and one O(9) atom to form distorted CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid, and  an edgeedge with one Li(6)O5 trigonal bipyramid. In the fourth Co site, Co(4) is bonded to one O(11), one O(15), one O(20), one O(24), one O(25), and one O(7) atom to form distorted CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Li(6)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid, and  an edgeedge with one Li(8)O5 trigonal bipyramid. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(3), one O(5), 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(4), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(1), one O(11), and one O(7) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(12), one O(2), and one O(8) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(17), one O(23), and one O(25) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Li(6)O5 trigonal bipyramid, and  a cornercorner with one Li(7)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-56°. In the second P site, P(2) is bonded to one O(14), one O(18), one O(24), and one O(26) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Li(6)O5 trigonal bipyramid, and  a cornercorner with one Li(8)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-56°. In the third P site, P(3) is bonded to one O(15), one O(19), one O(21), and one O(27) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid, and  a cornercorner with one Li(8)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 40-55°. In the fourth P site, P(4) is bonded to one O(16), one O(20), one O(22), and one O(28) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  a cornercorner with one Li(6)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid, and  a cornercorner with one Li(8)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-57°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Li(1), one Li(6), and one C(3) atom to form distorted ONaLi2C tetrahedra that share  a cornercorner with one O(13)Li2CoP trigonal pyramid,  a cornercorner with one O(14)Li2CoP trigonal pyramid,  a cornercorner with one O(10)NaLiCoC trigonal pyramid,  a cornercorner with one O(11)NaLiCoC trigonal pyramid, and  a cornercorner with one O(9)NaLiCoC trigonal pyramid. In the second O site, O(2) is bonded to one Na(2), one Li(2), one Li(5), and one C(4) atom to form distorted ONaLi2C tetrahedra that share  a cornercorner with one O(13)Li2CoP trigonal pyramid,  a cornercorner with one O(14)Li2CoP trigonal pyramid,  a cornercorner with one O(10)NaLiCoC trigonal pyramid,  a cornercorner with one O(12)NaLiCoC trigonal pyramid, and  a cornercorner with one O(9)NaLiCoC trigonal pyramid. In the third O site, O(3) is bonded to one Na(3), one Li(3), one Li(7), and one C(1) atom to form distorted ONaLi2C tetrahedra that share  a cornercorner with one O(15)Li2CoP trigonal pyramid,  a cornercorner with one O(16)Li2CoP trigonal pyramid,  a cornercorner with one O(11)NaLiCoC trigonal pyramid,  a cornercorner with one O(12)NaLiCoC trigonal pyramid, and  a cornercorner with one O(9)NaLiCoC trigonal pyramid. In the fourth O site, O(4) is bonded to one Na(4), one Li(4), one Li(8), and one C(2) atom to form distorted ONaLi2C tetrahedra that share  a cornercorner with one O(15)Li2CoP trigonal pyramid,  a cornercorner with one O(16)Li2CoP trigonal pyramid,  a cornercorner with one O(10)NaLiCoC trigonal pyramid,  a cornercorner with one O(11)NaLiCoC trigonal pyramid, and  a cornercorner with one O(12)NaLiCoC trigonal pyramid. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Li(4), one Co(3), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Li(3), one Co(1), and one C(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Li(2), one Co(4), and one C(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Co(2), and one C(4) atom. In the ninth O site, O(9) is bonded to one Na(1), one Li(5), one Co(3), and one C(1) atom to form distorted ONaLiCoC trigonal pyramids that share  a cornercorner with one O(1)NaLi2C tetrahedra,  a cornercorner with one O(2)NaLi2C tetrahedra,  a cornercorner with one O(3)NaLi2C tetrahedra,  a cornercorner with one O(13)Li2CoP trigonal pyramid, and  a cornercorner with one O(14)Li2CoP trigonal pyramid. In the tenth O site, O(10) is bonded to one Na(2), one Li(6), one Co(1), and one C(2) atom to form distorted ONaLiCoC trigonal pyramids that share  a cornercorner with one O(1)NaLi2C tetrahedra,  a cornercorner with one O(2)NaLi2C tetrahedra,  a cornercorner with one O(4)NaLi2C tetrahedra,  a cornercorner with one O(13)Li2CoP trigonal pyramid, and  a cornercorner with one O(14)Li2CoP trigonal pyramid. In the eleventh O site, O(11) is bonded to one Na(4), one Li(7), one Co(4), and one C(3) atom to form distorted ONaLiCoC trigonal pyramids that share  a cornercorner with one O(1)NaLi2C tetrahedra,  a cornercorner with one O(3)NaLi2C tetrahedra,  a cornercorner with one O(4)NaLi2C tetrahedra,  a cornercorner with one O(15)Li2CoP trigonal pyramid, and  a cornercorner with one O(16)Li2CoP trigonal pyramid. In the twelfth O site, O(12) is bonded to one Na(3), one Li(8), one Co(2), and one C(4) atom to form distorted ONaLiCoC trigonal pyramids that share  a cornercorner with one O(2)NaLi2C tetrahedra,  a cornercorner with one O(3)NaLi2C tetrahedra,  a cornercorner with one O(4)NaLi2C tetrahedra,  a cornercorner with one O(15)Li2CoP trigonal pyramid, and  a cornercorner with one O(16)Li2CoP trigonal pyramid. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(5), one Co(1), and one P(1) atom to form distorted OLi2CoP trigonal pyramids that share  a cornercorner with one O(1)NaLi2C tetrahedra,  a cornercorner with one O(2)NaLi2C tetrahedra,  a cornercorner with one O(10)NaLiCoC trigonal pyramid, and  a cornercorner with one O(9)NaLiCoC trigonal pyramid. In the fourteenth O site, O(14) is bonded to one Li(2), one Li(6), one Co(3), and one P(2) atom to form distorted OLi2CoP trigonal pyramids that share  a cornercorner with one O(1)NaLi2C tetrahedra,  a cornercorner with one O(2)NaLi2C tetrahedra,  a cornercorner with one O(10)NaLiCoC trigonal pyramid, and  a cornercorner with one O(9)NaLiCoC trigonal pyramid. In the fifteenth O site, O(15) is bonded to one Li(3), one Li(8), one Co(4), and one P(3) atom to form distorted OLi2CoP trigonal pyramids that share  a cornercorner with one O(3)NaLi2C tetrahedra,  a cornercorner with one O(4)NaLi2C tetrahedra,  a cornercorner with one O(11)NaLiCoC trigonal pyramid, and  a cornercorner with one O(12)NaLiCoC trigonal pyramid. In the sixteenth O site, O(16) is bonded to one Li(4), one Li(7), one Co(2), and one P(4) atom to form distorted OLi2CoP trigonal pyramids that share  a cornercorner with one O(3)NaLi2C tetrahedra,  a cornercorner with one O(4)NaLi2C tetrahedra,  a cornercorner with one O(11)NaLiCoC trigonal pyramid, and  a cornercorner with one O(12)NaLiCoC trigonal pyramid. In the seventeenth O site, O(17) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Li(1), one Co(3), and one P(1) atom. In the eighteenth O site, O(18) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Li(2), one Co(1), and one P(2) atom. In the nineteenth O site, O(19) is bonded in a 5-coordinate geometry to one Na(3), one Na(4), one Li(3), one Co(2), and one P(3) atom. In the twentieth O site, O(20) is bonded in a 5-coordinate geometry to one Na(3), one Na(4), one Li(4), one Co(4), and one P(4) atom. In the twenty-first O site, O(21) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Li(5), one Co(1), and one P(3) atom. In the twenty-second O site, O(22) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Li(6), one Co(3), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a distorted rectangular see-saw-like geometry to one Na(4), one Li(7), one Co(2), and one P(1) atom. In the twenty-fourth O site, O(24) is bonded in a distorted rectangular see-saw-like geometry to one Na(3), one Li(8), one Co(4), and one P(2) atom. In the twenty-fifth O site, O(25) is bonded in a 4-coordinate geometry to one Na(1), one Li(6), one Co(4), and one P(1) atom. In the twenty-sixth O site, O(26) is bonded in a 4-coordinate geometry to one Na(2), one Li(5), one Co(2), and one P(2) atom. In the twenty-seventh O site, O(27) is bonded in a 4-coordinate geometry to one Na(3), one Li(7), one Co(3), and one P(3) atom. In the twenty-eighth O site, O(28) is bonded in a 4-coordinate geometry to one Na(4), one Li(8), one Co(1), and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLi2CoPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.083
_cell_length_b   6.601
_cell_length_c   8.527
_cell_angle_alpha   89.977
_cell_angle_beta   95.044
_cell_angle_gamma   89.987
_symmetry_Int_Tables_number   1
_cell_volume   285.028
_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
  C  C0  1  0.691  0.260  0.955  1.0
  C  C1  1  0.310  0.760  0.045  1.0
  Co  Co2  1  0.789  0.249  0.661  1.0
  Co  Co3  1  0.211  0.749  0.339  1.0
  Li  Li4  1  0.786  0.770  0.896  1.0
  Li  Li5  1  0.215  0.270  0.104  1.0
  Li  Li6  1  0.264  0.993  0.727  1.0
  Li  Li7  1  0.736  0.493  0.273  1.0
  Na  Na8  1  0.271  0.517  0.735  1.0
  Na  Na9  1  0.729  0.017  0.265  1.0
  O  O10  1  0.390  0.785  0.907  1.0
  O  O11  1  0.610  0.285  0.093  1.0
  O  O12  1  0.939  0.259  0.930  1.0
  O  O13  1  0.062  0.760  0.070  1.0
  O  O14  1  0.518  0.234  0.833  1.0
  O  O15  1  0.483  0.734  0.167  1.0
  O  O16  1  0.844  0.934  0.690  1.0
  O  O17  1  0.155  0.434  0.310  1.0
  O  O18  1  0.798  0.565  0.697  1.0
  O  O19  1  0.202  0.065  0.303  1.0
  O  O20  1  0.154  0.237  0.572  1.0
  O  O21  1  0.846  0.737  0.428  1.0
  O  O22  1  0.422  0.774  0.560  1.0
  O  O23  1  0.577  0.274  0.440  1.0
  P  P24  1  0.729  0.752  0.589  1.0
  P  P25  1  0.271  0.252  0.411  1.0
[/CIF]
.