The material described by NaLi2FeCPO7 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(10), one O(2), one O(24), one O(25), and one O(9) atom. In the second Na site, Na(2) 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 third Na site, Na(3) 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 fourth Na site, Na(4) 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. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(23), one O(26), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(11), and one O(12) atom. In the third Li site, Li(3) is bonded in a distorted see-saw-like geometry to one O(13), one O(14), one O(2), and one O(7) atom. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(15), one O(16), one O(21), one O(23), and one O(27) atom. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(15), one O(16), one O(22), one O(23), and one O(27) atom. In the sixth Li site, Li(6) is bonded in a distorted see-saw-like geometry to one O(17), one O(18), one O(20), and one O(28) atom. In the seventh Li site, Li(7) is bonded in a 5-coordinate geometry to one O(19), one O(20), one O(27), one O(4), and one O(5) atom. In the eighth Li site, Li(8) 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 in a 6-coordinate geometry to one O(14), one O(16), one O(3), one O(5), one O(7), and one O(8) atom. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(18), one O(4), one O(6), and one O(9) atom. 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, and corners with two equivalent P(3)O4 tetrahedra. 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, and corners with two equivalent P(4)O4 tetrahedra. 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 and  a cornercorner with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-63°. 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 and  a cornercorner with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-62°. 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 corners with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. 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 corners with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(2), one Li(1), one Li(2), and one C(3) atom. In the second O site, O(2) is bonded to one Na(1), one Na(3), one Li(3), and one C(4) atom to form distorted ONa2LiC trigonal pyramids that share  a cornercorner with one O(9)Na2FeP trigonal pyramid,  a cornercorner with one O(8)NaLiFeP trigonal pyramid, and  an edgeedge with one O(13)NaLiFeP tetrahedra. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Na(3), one Li(8), one Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Na(2), one Li(7), one Fe(2), and one C(2) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one Na(2), one Li(7), one Fe(1), and one C(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(3), 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(2), one Li(1), one Li(3), one Fe(1), and one P(1) atom. In the eighth O site, O(8) is bonded to one Na(3), one Li(1), one Fe(1), and one P(1) atom to form distorted ONaLiFeP trigonal pyramids that share  a cornercorner with one O(16)Li2FeP tetrahedra,  a cornercorner with one O(11)NaLiFeP tetrahedra,  a cornercorner with one O(13)NaLiFeP tetrahedra,  a cornercorner with one O(23)Li3FeC trigonal bipyramid, and  a cornercorner with one O(2)Na2LiC trigonal pyramid. In the ninth O site, O(9) is bonded to one Na(1), one Na(2), one Fe(2), and one P(2) atom to form distorted ONa2FeP trigonal pyramids that share  a cornercorner with one O(11)NaLiFeP tetrahedra,  a cornercorner with one O(13)NaLiFeP tetrahedra,  a cornercorner with one O(18)NaLiFeP tetrahedra,  a cornercorner with one O(2)Na2LiC trigonal pyramid, and  a cornercorner with one O(17)NaLiFeP trigonal pyramid. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Li(2), one Fe(2), and one P(2) atom. In the eleventh O site, O(11) is bonded to one Na(2), one Li(2), one Fe(3), and one P(1) atom to form distorted ONaLiFeP tetrahedra that share  a cornercorner with one O(23)Li3FeC trigonal bipyramid,  a cornercorner with one O(20)Li2FeP trigonal pyramid,  a cornercorner with one O(9)Na2FeP trigonal pyramid,  a cornercorner with one O(17)NaLiFeP trigonal pyramid, and  a cornercorner with one O(8)NaLiFeP trigonal pyramid. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Li(2), one Fe(2), and one P(3) atom. In the thirteenth O site, O(13) is bonded to one Na(3), one Li(3), one Fe(4), and one P(2) atom to form distorted ONaLiFeP tetrahedra that share  a cornercorner with one O(22)Li2FeP trigonal pyramid,  a cornercorner with one O(9)Na2FeP trigonal pyramid,  a cornercorner with one O(17)NaLiFeP trigonal pyramid,  a cornercorner with one O(8)NaLiFeP trigonal pyramid, and  an edgeedge with one O(2)Na2LiC trigonal pyramid. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Na(3), one Li(3), one Fe(1), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Fe(4), and one P(1) atom. In the sixteenth O site, O(16) is bonded to one Li(4), one Li(5), one Fe(1), and one P(3) atom to form distorted OLi2FeP tetrahedra that share corners with two equivalent O(23)Li3FeC trigonal bipyramids,  a cornercorner with one O(20)Li2FeP trigonal pyramid,  a cornercorner with one O(22)Li2FeP trigonal pyramid,  a cornercorner with one O(8)NaLiFeP trigonal pyramid, and  an edgeedge with one O(27)Li3C tetrahedra. In the seventeenth O site, O(17) is bonded to one Na(4), one Li(6), one Fe(3), and one P(2) atom to form distorted ONaLiFeP trigonal pyramids that share  a cornercorner with one O(11)NaLiFeP tetrahedra,  a cornercorner with one O(13)NaLiFeP tetrahedra, corners with two equivalent O(28)NaLi2C tetrahedra, corners with two equivalent O(18)NaLiFeP tetrahedra,  a cornercorner with one O(23)Li3FeC trigonal bipyramid,  a cornercorner with one O(9)Na2FeP trigonal pyramid, and  an edgeedge with one O(20)Li2FeP trigonal pyramid. In the eighteenth O site, O(18) is bonded to one Na(4), one Li(6), one Fe(2), and one P(4) atom to form distorted ONaLiFeP tetrahedra that share  a cornercorner with one O(20)Li2FeP trigonal pyramid,  a cornercorner with one O(22)Li2FeP trigonal pyramid,  a cornercorner with one O(9)Na2FeP trigonal pyramid, corners with two equivalent O(17)NaLiFeP trigonal pyramids, and  an edgeedge with one O(28)NaLi2C tetrahedra. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Na(4), one Li(7), one Fe(3), and one P(3) atom. In the twentieth O site, O(20) is bonded to one Li(6), one Li(7), one Fe(3), and one P(3) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(16)Li2FeP tetrahedra,  a cornercorner with one O(27)Li3C tetrahedra,  a cornercorner with one O(28)NaLi2C tetrahedra,  a cornercorner with one O(11)NaLiFeP tetrahedra,  a cornercorner with one O(18)NaLiFeP tetrahedra,  a cornercorner with one O(23)Li3FeC trigonal bipyramid, and  an edgeedge with one O(17)NaLiFeP trigonal pyramid. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Na(4), one Li(4), one Li(8), one Fe(4), and one P(4) atom. In the twenty-second O site, O(22) is bonded to one Li(5), one Li(8), one Fe(4), and one P(4) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(16)Li2FeP tetrahedra,  a cornercorner with one O(27)Li3C tetrahedra,  a cornercorner with one O(28)NaLi2C tetrahedra,  a cornercorner with one O(13)NaLiFeP tetrahedra,  a cornercorner with one O(18)NaLiFeP tetrahedra, and  a cornercorner with one O(23)Li3FeC trigonal bipyramid. In the twenty-third O site, O(23) is bonded to one Li(1), one Li(4), one Li(5), one Fe(3), and one C(3) atom to form distorted OLi3FeC trigonal bipyramids that share  a cornercorner with one O(11)NaLiFeP tetrahedra, corners with two equivalent O(16)Li2FeP tetrahedra, corners with two equivalent O(27)Li3C tetrahedra,  a cornercorner with one O(20)Li2FeP trigonal pyramid,  a cornercorner with one O(22)Li2FeP trigonal pyramid,  a cornercorner with one O(17)NaLiFeP trigonal pyramid, and  a cornercorner with one O(8)NaLiFeP trigonal pyramid. In the twenty-fourth O site, O(24) is bonded in a 1-coordinate geometry to one Na(1), one Na(4), one Fe(4), and one C(4) atom. In the twenty-fifth O site, O(25) is bonded in a 4-coordinate geometry to one Na(1), one Na(4), one Fe(3), and one C(3) atom. In the twenty-sixth O site, O(26) is bonded in a 2-coordinate geometry to one Li(1), one Fe(4), and one C(4) atom. In the twenty-seventh O site, O(27) is bonded to one Li(4), one Li(5), one Li(7), and one C(1) atom to form OLi3C tetrahedra that share corners with two equivalent O(23)Li3FeC trigonal bipyramids,  a cornercorner with one O(20)Li2FeP trigonal pyramid,  a cornercorner with one O(22)Li2FeP trigonal pyramid, and  an edgeedge with one O(16)Li2FeP tetrahedra. In the twenty-eighth O site, O(28) is bonded to one Na(4), one Li(6), one Li(8), and one C(2) atom to form distorted ONaLi2C tetrahedra that share  a cornercorner with one O(20)Li2FeP trigonal pyramid,  a cornercorner with one O(22)Li2FeP trigonal pyramid, corners with two equivalent O(17)NaLiFeP trigonal pyramids, and  an edgeedge with one O(18)NaLiFeP tetrahedra. is represented by the CIF file [CIF]
data_NaLi2FePCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.670
_cell_length_b   8.627
_cell_length_c   10.091
_cell_angle_alpha   92.002
_cell_angle_beta   90.090
_cell_angle_gamma   90.150
_symmetry_Int_Tables_number   1
_cell_volume   580.266
_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  0.242  0.916  0.378  1.0
  Na  Na1  1  0.997  0.747  0.627  1.0
  Na  Na2  1  0.502  0.744  0.125  1.0
  Na  Na3  1  0.502  0.255  0.376  1.0
  Li  Li4  1  0.255  0.913  0.875  1.0
  Li  Li5  1  0.475  0.725  0.617  1.0
  Li  Li6  1  0.023  0.724  0.109  1.0
  Li  Li7  1  0.517  0.267  0.884  1.0
  Li  Li8  1  0.984  0.268  0.884  1.0
  Li  Li9  1  0.974  0.276  0.390  1.0
  Li  Li10  1  0.743  0.094  0.630  1.0
  Li  Li11  1  0.771  0.096  0.123  1.0
  Fe  Fe12  1  0.753  0.651  0.887  1.0
  Fe  Fe13  1  0.746  0.644  0.390  1.0
  Fe  Fe14  1  0.243  0.350  0.615  1.0
  Fe  Fe15  1  0.250  0.345  0.107  1.0
  P  P16  1  0.256  0.591  0.852  1.0
  P  P17  1  0.238  0.582  0.353  1.0
  P  P18  1  0.742  0.407  0.650  1.0
  P  P19  1  0.762  0.408  0.141  1.0
  C  C20  1  0.749  0.960  0.867  1.0
  C  C21  1  0.761  0.955  0.364  1.0
  C  C22  1  0.257  0.053  0.646  1.0
  C  C23  1  0.240  0.043  0.128  1.0
  O  O24  1  0.281  0.906  0.663  1.0
  O  O25  1  0.217  0.897  0.146  1.0
  O  O26  1  0.750  0.919  0.989  1.0
  O  O27  1  0.753  0.920  0.489  1.0
  O  O28  1  0.751  0.854  0.772  1.0
  O  O29  1  0.746  0.844  0.274  1.0
  O  O30  1  0.071  0.691  0.895  1.0
  O  O31  1  0.440  0.689  0.898  1.0
  O  O32  1  0.058  0.683  0.401  1.0
  O  O33  1  0.429  0.673  0.401  1.0
  O  O34  1  0.262  0.573  0.696  1.0
  O  O35  1  0.724  0.571  0.592  1.0
  O  O36  1  0.235  0.567  0.198  1.0
  O  O37  1  0.774  0.573  0.084  1.0
  O  O38  1  0.254  0.426  0.908  1.0
  O  O39  1  0.757  0.425  0.805  1.0
  O  O40  1  0.228  0.417  0.409  1.0
  O  O41  1  0.772  0.424  0.295  1.0
  O  O42  1  0.560  0.302  0.612  1.0
  O  O43  1  0.926  0.315  0.594  1.0
  O  O44  1  0.569  0.317  0.097  1.0
  O  O45  1  0.936  0.302  0.089  1.0
  O  O46  1  0.238  0.149  0.748  1.0
  O  O47  1  0.251  0.142  0.229  1.0
  O  O48  1  0.250  0.110  0.528  1.0
  O  O49  1  0.254  0.095  0.009  1.0
  O  O50  1  0.747  0.105  0.836  1.0
  O  O51  1  0.782  0.096  0.327  1.0
[/CIF]
.
The material described by NaLi2FeCPO7 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(10), one O(2), one O(24), one O(25), and one O(9) atom. In the second Na site, Na(2) 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 third Na site, Na(3) 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 fourth Na site, Na(4) 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. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(23), one O(26), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(11), and one O(12) atom. In the third Li site, Li(3) is bonded in a distorted see-saw-like geometry to one O(13), one O(14), one O(2), and one O(7) atom. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(15), one O(16), one O(21), one O(23), and one O(27) atom. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(15), one O(16), one O(22), one O(23), and one O(27) atom. In the sixth Li site, Li(6) is bonded in a distorted see-saw-like geometry to one O(17), one O(18), one O(20), and one O(28) atom. In the seventh Li site, Li(7) is bonded in a 5-coordinate geometry to one O(19), one O(20), one O(27), one O(4), and one O(5) atom. In the eighth Li site, Li(8) 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 in a 6-coordinate geometry to one O(14), one O(16), one O(3), one O(5), one O(7), and one O(8) atom. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(18), one O(4), one O(6), and one O(9) atom. 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, and corners with two equivalent P(3)O4 tetrahedra. 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, and corners with two equivalent P(4)O4 tetrahedra. 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 and  a cornercorner with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-63°. 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 and  a cornercorner with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-62°. 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 corners with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. 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 corners with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(2), one Li(1), one Li(2), and one C(3) atom. In the second O site, O(2) is bonded to one Na(1), one Na(3), one Li(3), and one C(4) atom to form distorted ONa2LiC trigonal pyramids that share  a cornercorner with one O(9)Na2FeP trigonal pyramid,  a cornercorner with one O(8)NaLiFeP trigonal pyramid, and  an edgeedge with one O(13)NaLiFeP tetrahedra. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Na(3), one Li(8), one Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Na(2), one Li(7), one Fe(2), and one C(2) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one Na(2), one Li(7), one Fe(1), and one C(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(3), 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(2), one Li(1), one Li(3), one Fe(1), and one P(1) atom. In the eighth O site, O(8) is bonded to one Na(3), one Li(1), one Fe(1), and one P(1) atom to form distorted ONaLiFeP trigonal pyramids that share  a cornercorner with one O(16)Li2FeP tetrahedra,  a cornercorner with one O(11)NaLiFeP tetrahedra,  a cornercorner with one O(13)NaLiFeP tetrahedra,  a cornercorner with one O(23)Li3FeC trigonal bipyramid, and  a cornercorner with one O(2)Na2LiC trigonal pyramid. In the ninth O site, O(9) is bonded to one Na(1), one Na(2), one Fe(2), and one P(2) atom to form distorted ONa2FeP trigonal pyramids that share  a cornercorner with one O(11)NaLiFeP tetrahedra,  a cornercorner with one O(13)NaLiFeP tetrahedra,  a cornercorner with one O(18)NaLiFeP tetrahedra,  a cornercorner with one O(2)Na2LiC trigonal pyramid, and  a cornercorner with one O(17)NaLiFeP trigonal pyramid. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Li(2), one Fe(2), and one P(2) atom. In the eleventh O site, O(11) is bonded to one Na(2), one Li(2), one Fe(3), and one P(1) atom to form distorted ONaLiFeP tetrahedra that share  a cornercorner with one O(23)Li3FeC trigonal bipyramid,  a cornercorner with one O(20)Li2FeP trigonal pyramid,  a cornercorner with one O(9)Na2FeP trigonal pyramid,  a cornercorner with one O(17)NaLiFeP trigonal pyramid, and  a cornercorner with one O(8)NaLiFeP trigonal pyramid. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Li(2), one Fe(2), and one P(3) atom. In the thirteenth O site, O(13) is bonded to one Na(3), one Li(3), one Fe(4), and one P(2) atom to form distorted ONaLiFeP tetrahedra that share  a cornercorner with one O(22)Li2FeP trigonal pyramid,  a cornercorner with one O(9)Na2FeP trigonal pyramid,  a cornercorner with one O(17)NaLiFeP trigonal pyramid,  a cornercorner with one O(8)NaLiFeP trigonal pyramid, and  an edgeedge with one O(2)Na2LiC trigonal pyramid. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Na(3), one Li(3), one Fe(1), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Fe(4), and one P(1) atom. In the sixteenth O site, O(16) is bonded to one Li(4), one Li(5), one Fe(1), and one P(3) atom to form distorted OLi2FeP tetrahedra that share corners with two equivalent O(23)Li3FeC trigonal bipyramids,  a cornercorner with one O(20)Li2FeP trigonal pyramid,  a cornercorner with one O(22)Li2FeP trigonal pyramid,  a cornercorner with one O(8)NaLiFeP trigonal pyramid, and  an edgeedge with one O(27)Li3C tetrahedra. In the seventeenth O site, O(17) is bonded to one Na(4), one Li(6), one Fe(3), and one P(2) atom to form distorted ONaLiFeP trigonal pyramids that share  a cornercorner with one O(11)NaLiFeP tetrahedra,  a cornercorner with one O(13)NaLiFeP tetrahedra, corners with two equivalent O(28)NaLi2C tetrahedra, corners with two equivalent O(18)NaLiFeP tetrahedra,  a cornercorner with one O(23)Li3FeC trigonal bipyramid,  a cornercorner with one O(9)Na2FeP trigonal pyramid, and  an edgeedge with one O(20)Li2FeP trigonal pyramid. In the eighteenth O site, O(18) is bonded to one Na(4), one Li(6), one Fe(2), and one P(4) atom to form distorted ONaLiFeP tetrahedra that share  a cornercorner with one O(20)Li2FeP trigonal pyramid,  a cornercorner with one O(22)Li2FeP trigonal pyramid,  a cornercorner with one O(9)Na2FeP trigonal pyramid, corners with two equivalent O(17)NaLiFeP trigonal pyramids, and  an edgeedge with one O(28)NaLi2C tetrahedra. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Na(4), one Li(7), one Fe(3), and one P(3) atom. In the twentieth O site, O(20) is bonded to one Li(6), one Li(7), one Fe(3), and one P(3) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(16)Li2FeP tetrahedra,  a cornercorner with one O(27)Li3C tetrahedra,  a cornercorner with one O(28)NaLi2C tetrahedra,  a cornercorner with one O(11)NaLiFeP tetrahedra,  a cornercorner with one O(18)NaLiFeP tetrahedra,  a cornercorner with one O(23)Li3FeC trigonal bipyramid, and  an edgeedge with one O(17)NaLiFeP trigonal pyramid. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Na(4), one Li(4), one Li(8), one Fe(4), and one P(4) atom. In the twenty-second O site, O(22) is bonded to one Li(5), one Li(8), one Fe(4), and one P(4) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(16)Li2FeP tetrahedra,  a cornercorner with one O(27)Li3C tetrahedra,  a cornercorner with one O(28)NaLi2C tetrahedra,  a cornercorner with one O(13)NaLiFeP tetrahedra,  a cornercorner with one O(18)NaLiFeP tetrahedra, and  a cornercorner with one O(23)Li3FeC trigonal bipyramid. In the twenty-third O site, O(23) is bonded to one Li(1), one Li(4), one Li(5), one Fe(3), and one C(3) atom to form distorted OLi3FeC trigonal bipyramids that share  a cornercorner with one O(11)NaLiFeP tetrahedra, corners with two equivalent O(16)Li2FeP tetrahedra, corners with two equivalent O(27)Li3C tetrahedra,  a cornercorner with one O(20)Li2FeP trigonal pyramid,  a cornercorner with one O(22)Li2FeP trigonal pyramid,  a cornercorner with one O(17)NaLiFeP trigonal pyramid, and  a cornercorner with one O(8)NaLiFeP trigonal pyramid. In the twenty-fourth O site, O(24) is bonded in a 1-coordinate geometry to one Na(1), one Na(4), one Fe(4), and one C(4) atom. In the twenty-fifth O site, O(25) is bonded in a 4-coordinate geometry to one Na(1), one Na(4), one Fe(3), and one C(3) atom. In the twenty-sixth O site, O(26) is bonded in a 2-coordinate geometry to one Li(1), one Fe(4), and one C(4) atom. In the twenty-seventh O site, O(27) is bonded to one Li(4), one Li(5), one Li(7), and one C(1) atom to form OLi3C tetrahedra that share corners with two equivalent O(23)Li3FeC trigonal bipyramids,  a cornercorner with one O(20)Li2FeP trigonal pyramid,  a cornercorner with one O(22)Li2FeP trigonal pyramid, and  an edgeedge with one O(16)Li2FeP tetrahedra. In the twenty-eighth O site, O(28) is bonded to one Na(4), one Li(6), one Li(8), and one C(2) atom to form distorted ONaLi2C tetrahedra that share  a cornercorner with one O(20)Li2FeP trigonal pyramid,  a cornercorner with one O(22)Li2FeP trigonal pyramid, corners with two equivalent O(17)NaLiFeP trigonal pyramids, and  an edgeedge with one O(18)NaLiFeP tetrahedra. is represented by the CIF file [CIF]
data_NaLi2FePCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.670
_cell_length_b   8.627
_cell_length_c   10.091
_cell_angle_alpha   92.002
_cell_angle_beta   90.090
_cell_angle_gamma   90.150
_symmetry_Int_Tables_number   1
_cell_volume   580.266
_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  0.242  0.916  0.378  1.0
  Na  Na1  1  0.997  0.747  0.627  1.0
  Na  Na2  1  0.502  0.744  0.125  1.0
  Na  Na3  1  0.502  0.255  0.376  1.0
  Li  Li4  1  0.255  0.913  0.875  1.0
  Li  Li5  1  0.475  0.725  0.617  1.0
  Li  Li6  1  0.023  0.724  0.109  1.0
  Li  Li7  1  0.517  0.267  0.884  1.0
  Li  Li8  1  0.984  0.268  0.884  1.0
  Li  Li9  1  0.974  0.276  0.390  1.0
  Li  Li10  1  0.743  0.094  0.630  1.0
  Li  Li11  1  0.771  0.096  0.123  1.0
  Fe  Fe12  1  0.753  0.651  0.887  1.0
  Fe  Fe13  1  0.746  0.644  0.390  1.0
  Fe  Fe14  1  0.243  0.350  0.615  1.0
  Fe  Fe15  1  0.250  0.345  0.107  1.0
  P  P16  1  0.256  0.591  0.852  1.0
  P  P17  1  0.238  0.582  0.353  1.0
  P  P18  1  0.742  0.407  0.650  1.0
  P  P19  1  0.762  0.408  0.141  1.0
  C  C20  1  0.749  0.960  0.867  1.0
  C  C21  1  0.761  0.955  0.364  1.0
  C  C22  1  0.257  0.053  0.646  1.0
  C  C23  1  0.240  0.043  0.128  1.0
  O  O24  1  0.281  0.906  0.663  1.0
  O  O25  1  0.217  0.897  0.146  1.0
  O  O26  1  0.750  0.919  0.989  1.0
  O  O27  1  0.753  0.920  0.489  1.0
  O  O28  1  0.751  0.854  0.772  1.0
  O  O29  1  0.746  0.844  0.274  1.0
  O  O30  1  0.071  0.691  0.895  1.0
  O  O31  1  0.440  0.689  0.898  1.0
  O  O32  1  0.058  0.683  0.401  1.0
  O  O33  1  0.429  0.673  0.401  1.0
  O  O34  1  0.262  0.573  0.696  1.0
  O  O35  1  0.724  0.571  0.592  1.0
  O  O36  1  0.235  0.567  0.198  1.0
  O  O37  1  0.774  0.573  0.084  1.0
  O  O38  1  0.254  0.426  0.908  1.0
  O  O39  1  0.757  0.425  0.805  1.0
  O  O40  1  0.228  0.417  0.409  1.0
  O  O41  1  0.772  0.424  0.295  1.0
  O  O42  1  0.560  0.302  0.612  1.0
  O  O43  1  0.926  0.315  0.594  1.0
  O  O44  1  0.569  0.317  0.097  1.0
  O  O45  1  0.936  0.302  0.089  1.0
  O  O46  1  0.238  0.149  0.748  1.0
  O  O47  1  0.251  0.142  0.229  1.0
  O  O48  1  0.250  0.110  0.528  1.0
  O  O49  1  0.254  0.095  0.009  1.0
  O  O50  1  0.747  0.105  0.836  1.0
  O  O51  1  0.782  0.096  0.327  1.0
[/CIF]
.