The structure described by Na2LiFeCPO7 crystallizes in the triclinic P1 space group. There are eight inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(23), one O(26), one O(7), and one O(8) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(24), one O(25), and one O(9) atom. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(12), one O(4), one O(5), one O(7), and one O(9) atom. In the fourth Na site, Na(4) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(4), one O(5), and one O(8) atom. In the fifth Na site, Na(5) is bonded in a 7-coordinate geometry to one O(10), one O(13), one O(14), one O(2), one O(3), one O(6), and one O(8) atom. In the sixth Na site, Na(6) is bonded in a 7-coordinate geometry to one O(15), one O(16), one O(19), one O(21), one O(23), one O(26), and one O(27) atom. In the seventh Na site, Na(7) is bonded in a 7-coordinate geometry to one O(17), one O(18), one O(19), one O(21), one O(24), one O(25), and one O(28) atom. In the eighth Na site, Na(8) is bonded in a 7-coordinate geometry to one O(17), one O(18), one O(20), one O(22), one O(24), one O(25), and one O(28) atom. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(13), one O(14), one O(2), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(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 Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-88°. In the second Li site, Li(2) is bonded to one O(15), one O(16), one O(22), one O(23), and one O(27) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)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 Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-90°. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(19), one O(20), one O(27), and one O(4) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(21), one O(22), one O(28), and one O(3) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(14), one O(16), one O(3), one O(5), one O(7), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(10), one O(12), one O(18), one O(4), one O(6), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. In the third Fe site, Fe(3) is bonded to one O(11), one O(17), one O(19), one O(20), one O(23), and one O(25) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  a cornercorner with one Li(2)O5 trigonal bipyramid. In the fourth Fe site, Fe(4) is bonded to one O(13), one O(15), one O(21), one O(22), one O(24), and one O(26) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(2)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(27), one O(3), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(28), 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(23), and one O(25) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(2), one O(24), and one O(26) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(15), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  a cornercorner with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 39-59°. In the second P site, P(2) is bonded to one O(10), one O(13), one O(17), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 43-59°. In the third P site, P(3) is bonded to one O(12), one O(16), one O(19), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, and  a cornercorner with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-57°. In the fourth P site, P(4) is bonded to one O(14), one O(18), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  a cornercorner with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 40-57°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), and one C(3) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(5), one Li(1), and one C(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(5), one Li(4), one Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(3), one Na(4), one Li(3), one Fe(2), and one C(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(3), one Na(4), one Fe(1), and one C(1) atom. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to one Na(5), one Li(1), one Fe(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Li(1), one Fe(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Na(1), one Na(4), one Na(5), one Fe(1), and one P(1) atom. In the ninth O site, O(9) is bonded to one Na(2), one Na(3), one Fe(2), and one P(2) atom to form distorted ONa2FeP trigonal pyramids that share  a cornercorner with one O(11)Na2FeP tetrahedra,  a cornercorner with one O(18)Na2FeP tetrahedra,  a cornercorner with one O(13)NaLiFeP tetrahedra, and  a cornercorner with one O(24)Na3FeC trigonal bipyramid. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Na(2), one Na(4), one Na(5), one Fe(2), and one P(2) atom. In the eleventh O site, O(11) is bonded to one Na(3), one Na(4), one Fe(3), and one P(1) atom to form distorted ONa2FeP tetrahedra that share  a cornercorner with one O(23)Na2LiFeC trigonal bipyramid,  a cornercorner with one O(9)Na2FeP trigonal pyramid, and  a cornercorner with one O(20)NaLiFeP trigonal pyramid. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Na(3), one Na(4), one Fe(2), and one P(3) atom. In the thirteenth O site, O(13) is bonded to one Na(5), one Li(1), one Fe(4), and one P(2) atom to form distorted ONaLiFeP tetrahedra that share  a cornercorner with one O(24)Na3FeC trigonal bipyramid and  a cornercorner with one O(9)Na2FeP trigonal pyramid. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Na(5), one Li(1), one Fe(1), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Na(6), one Li(2), one Fe(4), and one P(1) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Na(6), one Li(2), one Fe(1), and one P(3) atom. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to one Na(7), one Na(8), one Fe(3), and one P(2) atom. In the eighteenth O site, O(18) is bonded to one Na(7), one Na(8), one Fe(2), and one P(4) atom to form distorted ONa2FeP tetrahedra that share corners with two equivalent O(24)Na3FeC trigonal bipyramids,  a cornercorner with one O(9)Na2FeP trigonal pyramid,  a cornercorner with one O(20)NaLiFeP trigonal pyramid, and  an edgeedge with one O(28)Na2LiC tetrahedra. In the nineteenth O site, O(19) is bonded in a 5-coordinate geometry to one Na(6), one Na(7), one Li(3), one Fe(3), and one P(3) atom. In the twentieth O site, O(20) is bonded to one Na(8), one Li(3), one Fe(3), and one P(3) atom to form distorted ONaLiFeP trigonal pyramids that share  a cornercorner with one O(11)Na2FeP tetrahedra,  a cornercorner with one O(18)Na2FeP tetrahedra,  a cornercorner with one O(28)Na2LiC tetrahedra,  a cornercorner with one O(23)Na2LiFeC trigonal bipyramid, and  a cornercorner with one O(24)Na3FeC trigonal bipyramid. In the twenty-first O site, O(21) is bonded in a 5-coordinate geometry to one Na(6), one Na(7), one Li(4), one Fe(4), and one P(4) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Na(8), one Li(2), one Li(4), one Fe(4), and one P(4) atom. In the twenty-third O site, O(23) is bonded to one Na(1), one Na(6), one Li(2), one Fe(3), and one C(3) atom to form distorted ONa2LiFeC trigonal bipyramids that share  a cornercorner with one O(11)Na2FeP tetrahedra and  a cornercorner with one O(20)NaLiFeP trigonal pyramid. In the twenty-fourth O site, O(24) is bonded to one Na(2), one Na(7), one Na(8), one Fe(4), and one C(4) atom to form distorted ONa3FeC trigonal bipyramids that share  a cornercorner with one O(13)NaLiFeP tetrahedra, corners with two equivalent O(18)Na2FeP tetrahedra, corners with two equivalent O(28)Na2LiC tetrahedra,  a cornercorner with one O(9)Na2FeP trigonal pyramid, and  a cornercorner with one O(20)NaLiFeP trigonal pyramid. In the twenty-fifth O site, O(25) is bonded in a 5-coordinate geometry to one Na(2), one Na(7), one Na(8), one Fe(3), and one C(3) atom. In the twenty-sixth O site, O(26) is bonded in a 4-coordinate geometry to one Na(1), one Na(6), one Fe(4), and one C(4) atom. In the twenty-seventh O site, O(27) is bonded in a distorted rectangular see-saw-like geometry to one Na(6), one Li(2), one Li(3), and one C(1) atom. In the twenty-eighth O site, O(28) is bonded to one Na(7), one Na(8), one Li(4), and one C(2) atom to form distorted ONa2LiC tetrahedra that share corners with two equivalent O(24)Na3FeC trigonal bipyramids,  a cornercorner with one O(20)NaLiFeP trigonal pyramid, and  an edgeedge with one O(18)Na2FeP tetrahedra. is represented by the CIF card [CIF]
data_Na2LiFePCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.663
_cell_length_b   8.856
_cell_length_c   10.315
_cell_angle_alpha   88.361
_cell_angle_beta   89.544
_cell_angle_gamma   89.405
_symmetry_Int_Tables_number   1
_cell_volume   608.290
_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
  Na  Na0  1  0.757  0.918  0.119  1.0
  Na  Na1  1  0.754  0.918  0.620  1.0
  Na  Na2  1  0.000  0.740  0.374  1.0
  Na  Na3  1  0.500  0.740  0.375  1.0
  Na  Na4  1  0.499  0.740  0.874  1.0
  Na  Na5  1  0.497  0.259  0.124  1.0
  Na  Na6  1  0.497  0.262  0.622  1.0
  Na  Na7  1  0.004  0.261  0.626  1.0
  Li  Li8  1  0.984  0.724  0.882  1.0
  Li  Li9  1  0.015  0.271  0.123  1.0
  Li  Li10  1  0.241  0.093  0.374  1.0
  Li  Li11  1  0.236  0.089  0.875  1.0
  Fe  Fe12  1  0.250  0.649  0.107  1.0
  Fe  Fe13  1  0.247  0.648  0.610  1.0
  Fe  Fe14  1  0.752  0.352  0.388  1.0
  Fe  Fe15  1  0.752  0.349  0.891  1.0
  P  P16  1  0.756  0.583  0.146  1.0
  P  P17  1  0.754  0.588  0.649  1.0
  P  P18  1  0.247  0.405  0.349  1.0
  P  P19  1  0.245  0.411  0.854  1.0
  C  C20  1  0.241  0.954  0.135  1.0
  C  C21  1  0.247  0.947  0.640  1.0
  C  C22  1  0.754  0.060  0.362  1.0
  C  C23  1  0.760  0.053  0.866  1.0
  O  O24  1  0.747  0.915  0.354  1.0
  O  O25  1  0.774  0.907  0.860  1.0
  O  O26  1  0.251  0.911  0.015  1.0
  O  O27  1  0.248  0.907  0.519  1.0
  O  O28  1  0.247  0.852  0.229  1.0
  O  O29  1  0.240  0.843  0.732  1.0
  O  O30  1  0.935  0.684  0.100  1.0
  O  O31  1  0.562  0.671  0.104  1.0
  O  O32  1  0.936  0.684  0.602  1.0
  O  O33  1  0.562  0.683  0.613  1.0
  O  O34  1  0.754  0.566  0.297  1.0
  O  O35  1  0.252  0.559  0.416  1.0
  O  O36  1  0.764  0.568  0.800  1.0
  O  O37  1  0.228  0.569  0.915  1.0
  O  O38  1  0.771  0.425  0.087  1.0
  O  O39  1  0.232  0.430  0.199  1.0
  O  O40  1  0.750  0.433  0.586  1.0
  O  O41  1  0.242  0.434  0.704  1.0
  O  O42  1  0.437  0.307  0.382  1.0
  O  O43  1  0.069  0.305  0.398  1.0
  O  O44  1  0.439  0.323  0.894  1.0
  O  O45  1  0.070  0.304  0.899  1.0
  O  O46  1  0.763  0.147  0.258  1.0
  O  O47  1  0.755  0.137  0.761  1.0
  O  O48  1  0.752  0.123  0.475  1.0
  O  O49  1  0.750  0.119  0.977  1.0
  O  O50  1  0.225  0.095  0.164  1.0
  O  O51  1  0.254  0.087  0.671  1.0
[/CIF]
.
The structure described by Na2LiFeCPO7 crystallizes in the triclinic P1 space group. There are eight inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(23), one O(26), one O(7), and one O(8) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(24), one O(25), and one O(9) atom. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(12), one O(4), one O(5), one O(7), and one O(9) atom. In the fourth Na site, Na(4) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(4), one O(5), and one O(8) atom. In the fifth Na site, Na(5) is bonded in a 7-coordinate geometry to one O(10), one O(13), one O(14), one O(2), one O(3), one O(6), and one O(8) atom. In the sixth Na site, Na(6) is bonded in a 7-coordinate geometry to one O(15), one O(16), one O(19), one O(21), one O(23), one O(26), and one O(27) atom. In the seventh Na site, Na(7) is bonded in a 7-coordinate geometry to one O(17), one O(18), one O(19), one O(21), one O(24), one O(25), and one O(28) atom. In the eighth Na site, Na(8) is bonded in a 7-coordinate geometry to one O(17), one O(18), one O(20), one O(22), one O(24), one O(25), and one O(28) atom. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(13), one O(14), one O(2), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(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 Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-88°. In the second Li site, Li(2) is bonded to one O(15), one O(16), one O(22), one O(23), and one O(27) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)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 Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-90°. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(19), one O(20), one O(27), and one O(4) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(21), one O(22), one O(28), and one O(3) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(14), one O(16), one O(3), one O(5), one O(7), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(10), one O(12), one O(18), one O(4), one O(6), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. In the third Fe site, Fe(3) is bonded to one O(11), one O(17), one O(19), one O(20), one O(23), and one O(25) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  a cornercorner with one Li(2)O5 trigonal bipyramid. In the fourth Fe site, Fe(4) is bonded to one O(13), one O(15), one O(21), one O(22), one O(24), and one O(26) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(2)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(27), one O(3), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(28), 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(23), and one O(25) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(2), one O(24), and one O(26) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(15), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  a cornercorner with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 39-59°. In the second P site, P(2) is bonded to one O(10), one O(13), one O(17), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 43-59°. In the third P site, P(3) is bonded to one O(12), one O(16), one O(19), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, and  a cornercorner with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-57°. In the fourth P site, P(4) is bonded to one O(14), one O(18), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  a cornercorner with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 40-57°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), and one C(3) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(5), one Li(1), and one C(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(5), one Li(4), one Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(3), one Na(4), one Li(3), one Fe(2), and one C(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(3), one Na(4), one Fe(1), and one C(1) atom. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to one Na(5), one Li(1), one Fe(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Li(1), one Fe(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Na(1), one Na(4), one Na(5), one Fe(1), and one P(1) atom. In the ninth O site, O(9) is bonded to one Na(2), one Na(3), one Fe(2), and one P(2) atom to form distorted ONa2FeP trigonal pyramids that share  a cornercorner with one O(11)Na2FeP tetrahedra,  a cornercorner with one O(18)Na2FeP tetrahedra,  a cornercorner with one O(13)NaLiFeP tetrahedra, and  a cornercorner with one O(24)Na3FeC trigonal bipyramid. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Na(2), one Na(4), one Na(5), one Fe(2), and one P(2) atom. In the eleventh O site, O(11) is bonded to one Na(3), one Na(4), one Fe(3), and one P(1) atom to form distorted ONa2FeP tetrahedra that share  a cornercorner with one O(23)Na2LiFeC trigonal bipyramid,  a cornercorner with one O(9)Na2FeP trigonal pyramid, and  a cornercorner with one O(20)NaLiFeP trigonal pyramid. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Na(3), one Na(4), one Fe(2), and one P(3) atom. In the thirteenth O site, O(13) is bonded to one Na(5), one Li(1), one Fe(4), and one P(2) atom to form distorted ONaLiFeP tetrahedra that share  a cornercorner with one O(24)Na3FeC trigonal bipyramid and  a cornercorner with one O(9)Na2FeP trigonal pyramid. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Na(5), one Li(1), one Fe(1), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Na(6), one Li(2), one Fe(4), and one P(1) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Na(6), one Li(2), one Fe(1), and one P(3) atom. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to one Na(7), one Na(8), one Fe(3), and one P(2) atom. In the eighteenth O site, O(18) is bonded to one Na(7), one Na(8), one Fe(2), and one P(4) atom to form distorted ONa2FeP tetrahedra that share corners with two equivalent O(24)Na3FeC trigonal bipyramids,  a cornercorner with one O(9)Na2FeP trigonal pyramid,  a cornercorner with one O(20)NaLiFeP trigonal pyramid, and  an edgeedge with one O(28)Na2LiC tetrahedra. In the nineteenth O site, O(19) is bonded in a 5-coordinate geometry to one Na(6), one Na(7), one Li(3), one Fe(3), and one P(3) atom. In the twentieth O site, O(20) is bonded to one Na(8), one Li(3), one Fe(3), and one P(3) atom to form distorted ONaLiFeP trigonal pyramids that share  a cornercorner with one O(11)Na2FeP tetrahedra,  a cornercorner with one O(18)Na2FeP tetrahedra,  a cornercorner with one O(28)Na2LiC tetrahedra,  a cornercorner with one O(23)Na2LiFeC trigonal bipyramid, and  a cornercorner with one O(24)Na3FeC trigonal bipyramid. In the twenty-first O site, O(21) is bonded in a 5-coordinate geometry to one Na(6), one Na(7), one Li(4), one Fe(4), and one P(4) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Na(8), one Li(2), one Li(4), one Fe(4), and one P(4) atom. In the twenty-third O site, O(23) is bonded to one Na(1), one Na(6), one Li(2), one Fe(3), and one C(3) atom to form distorted ONa2LiFeC trigonal bipyramids that share  a cornercorner with one O(11)Na2FeP tetrahedra and  a cornercorner with one O(20)NaLiFeP trigonal pyramid. In the twenty-fourth O site, O(24) is bonded to one Na(2), one Na(7), one Na(8), one Fe(4), and one C(4) atom to form distorted ONa3FeC trigonal bipyramids that share  a cornercorner with one O(13)NaLiFeP tetrahedra, corners with two equivalent O(18)Na2FeP tetrahedra, corners with two equivalent O(28)Na2LiC tetrahedra,  a cornercorner with one O(9)Na2FeP trigonal pyramid, and  a cornercorner with one O(20)NaLiFeP trigonal pyramid. In the twenty-fifth O site, O(25) is bonded in a 5-coordinate geometry to one Na(2), one Na(7), one Na(8), one Fe(3), and one C(3) atom. In the twenty-sixth O site, O(26) is bonded in a 4-coordinate geometry to one Na(1), one Na(6), one Fe(4), and one C(4) atom. In the twenty-seventh O site, O(27) is bonded in a distorted rectangular see-saw-like geometry to one Na(6), one Li(2), one Li(3), and one C(1) atom. In the twenty-eighth O site, O(28) is bonded to one Na(7), one Na(8), one Li(4), and one C(2) atom to form distorted ONa2LiC tetrahedra that share corners with two equivalent O(24)Na3FeC trigonal bipyramids,  a cornercorner with one O(20)NaLiFeP trigonal pyramid, and  an edgeedge with one O(18)Na2FeP tetrahedra. is represented by the CIF card [CIF]
data_Na2LiFePCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.663
_cell_length_b   8.856
_cell_length_c   10.315
_cell_angle_alpha   88.361
_cell_angle_beta   89.544
_cell_angle_gamma   89.405
_symmetry_Int_Tables_number   1
_cell_volume   608.290
_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
  Na  Na0  1  0.757  0.918  0.119  1.0
  Na  Na1  1  0.754  0.918  0.620  1.0
  Na  Na2  1  0.000  0.740  0.374  1.0
  Na  Na3  1  0.500  0.740  0.375  1.0
  Na  Na4  1  0.499  0.740  0.874  1.0
  Na  Na5  1  0.497  0.259  0.124  1.0
  Na  Na6  1  0.497  0.262  0.622  1.0
  Na  Na7  1  0.004  0.261  0.626  1.0
  Li  Li8  1  0.984  0.724  0.882  1.0
  Li  Li9  1  0.015  0.271  0.123  1.0
  Li  Li10  1  0.241  0.093  0.374  1.0
  Li  Li11  1  0.236  0.089  0.875  1.0
  Fe  Fe12  1  0.250  0.649  0.107  1.0
  Fe  Fe13  1  0.247  0.648  0.610  1.0
  Fe  Fe14  1  0.752  0.352  0.388  1.0
  Fe  Fe15  1  0.752  0.349  0.891  1.0
  P  P16  1  0.756  0.583  0.146  1.0
  P  P17  1  0.754  0.588  0.649  1.0
  P  P18  1  0.247  0.405  0.349  1.0
  P  P19  1  0.245  0.411  0.854  1.0
  C  C20  1  0.241  0.954  0.135  1.0
  C  C21  1  0.247  0.947  0.640  1.0
  C  C22  1  0.754  0.060  0.362  1.0
  C  C23  1  0.760  0.053  0.866  1.0
  O  O24  1  0.747  0.915  0.354  1.0
  O  O25  1  0.774  0.907  0.860  1.0
  O  O26  1  0.251  0.911  0.015  1.0
  O  O27  1  0.248  0.907  0.519  1.0
  O  O28  1  0.247  0.852  0.229  1.0
  O  O29  1  0.240  0.843  0.732  1.0
  O  O30  1  0.935  0.684  0.100  1.0
  O  O31  1  0.562  0.671  0.104  1.0
  O  O32  1  0.936  0.684  0.602  1.0
  O  O33  1  0.562  0.683  0.613  1.0
  O  O34  1  0.754  0.566  0.297  1.0
  O  O35  1  0.252  0.559  0.416  1.0
  O  O36  1  0.764  0.568  0.800  1.0
  O  O37  1  0.228  0.569  0.915  1.0
  O  O38  1  0.771  0.425  0.087  1.0
  O  O39  1  0.232  0.430  0.199  1.0
  O  O40  1  0.750  0.433  0.586  1.0
  O  O41  1  0.242  0.434  0.704  1.0
  O  O42  1  0.437  0.307  0.382  1.0
  O  O43  1  0.069  0.305  0.398  1.0
  O  O44  1  0.439  0.323  0.894  1.0
  O  O45  1  0.070  0.304  0.899  1.0
  O  O46  1  0.763  0.147  0.258  1.0
  O  O47  1  0.755  0.137  0.761  1.0
  O  O48  1  0.752  0.123  0.475  1.0
  O  O49  1  0.750  0.119  0.977  1.0
  O  O50  1  0.225  0.095  0.164  1.0
  O  O51  1  0.254  0.087  0.671  1.0
[/CIF]
.