The material described by Na3Li3Fe2P2(CO7)2 crystallizes in the triclinic P1 space group. There are six inequivalent Na sites. In the first Na site, Na(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 Na site, Na(2) 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 third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(13), one O(14), one O(2), one O(3), one O(6), 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(10), one O(13), one O(14), one O(2), one O(3), one O(6), and one O(8) atom. In the fifth Na site, Na(5) 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 sixth Na site, Na(6) 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 six inequivalent Li sites. In the first Li site, Li(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 Li site, Li(2) is bonded in a distorted see-saw-like geometry to one O(1), one O(11), one O(12), and one O(9) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(15), one O(16), one O(22), and one O(27) atom. In the fourth Li site, Li(4) is bonded to one O(17), one O(18), one O(20), one O(24), and one O(28) atom to form 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(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-87°. In the fifth Li site, Li(5) is bonded in a 3-coordinate geometry to one O(19), one O(20), one O(27), and one O(4) atom. In the sixth Li site, Li(6) 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(5), one O(7), and one O(8) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. 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(4)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  an edgeedge with one Li(4)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, and  a cornercorner with one Li(4)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, and corners with two equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 48-61°. 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(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 39-58°. 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(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one Li(4)O5 trigonal bipyramid, and  a cornercorner with one Fe(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 36-54°. 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(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  a cornercorner with one Li(4)O5 trigonal bipyramid, and  a cornercorner with one Fe(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-56°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Li(2), and one C(3) atom. In the second O site, O(2) is bonded to one Na(3), one Na(4), one Li(1), and one C(4) atom to form a mixture of distorted edge and corner-sharing ONa2LiC tetrahedra. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Na(3), one Na(4), one Li(6), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Na(2), one Li(5), one Fe(2), and one C(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(2), one Fe(1), and one C(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(3), one Na(4), one Fe(2), and one C(2) atom. In the seventh O site, O(7) is bonded to one Na(1), one Na(3), one Fe(1), and one P(1) atom to form distorted ONa2FeP trigonal pyramids that share  a cornercorner with one O(13)Na2FeP tetrahedra,  a cornercorner with one O(2)Na2LiC tetrahedra,  a cornercorner with one O(11)NaLiFeP tetrahedra,  a cornercorner with one O(16)NaLiFeP tetrahedra, and  a cornercorner with one O(15)NaLiFeP trigonal pyramid. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(4), one Fe(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(3), one Li(1), one Li(2), one Fe(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Na(2), one Na(4), one Li(1), 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(7)Na2FeP trigonal pyramid and  a cornercorner with one O(15)NaLiFeP trigonal pyramid. In the twelfth O site, O(12) is bonded in a 4-coordinate 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 Na(4), one Fe(4), and one P(2) atom to form distorted ONa2FeP tetrahedra that share  a cornercorner with one O(7)Na2FeP trigonal pyramid,  a cornercorner with one O(15)NaLiFeP trigonal pyramid, and  an edgeedge with one O(2)Na2LiC tetrahedra. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Na(3), one Na(4), one Fe(1), and one P(4) atom. In the fifteenth O site, O(15) is bonded to one Na(5), one Li(3), one Fe(4), and one P(1) atom to form distorted ONaLiFeP trigonal pyramids that share  a cornercorner with one O(13)Na2FeP tetrahedra,  a cornercorner with one O(11)NaLiFeP tetrahedra, corners with two equivalent O(27)NaLi2C tetrahedra, corners with two equivalent O(16)NaLiFeP tetrahedra, and  a cornercorner with one O(7)Na2FeP trigonal pyramid. In the sixteenth O site, O(16) is bonded to one Na(5), one Li(3), one Fe(1), and one P(3) atom to form distorted ONaLiFeP tetrahedra that share  a cornercorner with one O(7)Na2FeP trigonal pyramid, corners with two equivalent O(15)NaLiFeP trigonal pyramids, and  an edgeedge with one O(27)NaLi2C tetrahedra. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to one Na(6), one Li(4), one Fe(3), and one P(2) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Na(6), one Li(4), one Fe(2), and one P(4) atom. In the nineteenth O site, O(19) is bonded in a 5-coordinate geometry to one Na(5), one Na(6), one Li(5), one Fe(3), and one P(3) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Fe(3), and one P(3) atom. In the twenty-first O site, O(21) is bonded in a 5-coordinate geometry to one Na(5), one Na(6), one Li(6), 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 Li(3), one Li(6), one Fe(4), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a 1-coordinate geometry to one Na(1), one Na(5), one Fe(3), and one C(3) atom. In the twenty-fourth O site, O(24) is bonded in a 5-coordinate geometry to one Na(6), one Li(1), one Li(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(6), one Li(1), 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(5), one Fe(4), and one C(4) atom. In the twenty-seventh O site, O(27) is bonded to one Na(5), one Li(3), one Li(5), and one C(1) atom to form a mixture of distorted edge and corner-sharing ONaLi2C tetrahedra. In the twenty-eighth O site, O(28) is bonded in a distorted tetrahedral geometry to one Na(6), one Li(4), one Li(6), and one C(2) atom. is represented by the CIF file [CIF]
data_Na3Li3Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.666
_cell_length_b   8.729
_cell_length_c   10.201
_cell_angle_alpha   87.688
_cell_angle_beta   89.688
_cell_angle_gamma   88.814
_symmetry_Int_Tables_number   1
_cell_volume   592.928
_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
  Na  Na0  1  0.762  0.917  0.122  1.0
  Na  Na1  1  0.501  0.740  0.372  1.0
  Na  Na2  1  0.000  0.741  0.875  1.0
  Na  Na3  1  0.499  0.742  0.877  1.0
  Na  Na4  1  0.500  0.255  0.125  1.0
  Na  Na5  1  0.499  0.260  0.627  1.0
  Li  Li6  1  0.772  0.916  0.623  1.0
  Li  Li7  1  0.969  0.716  0.383  1.0
  Li  Li8  1  0.026  0.276  0.116  1.0
  Li  Li9  1  0.015  0.275  0.625  1.0
  Li  Li10  1  0.218  0.090  0.377  1.0
  Li  Li11  1  0.232  0.096  0.872  1.0
  Fe  Fe12  1  0.249  0.643  0.117  1.0
  Fe  Fe13  1  0.243  0.658  0.606  1.0
  Fe  Fe14  1  0.756  0.339  0.393  1.0
  Fe  Fe15  1  0.759  0.348  0.891  1.0
  P  P16  1  0.761  0.582  0.150  1.0
  P  P17  1  0.752  0.590  0.645  1.0
  P  P18  1  0.241  0.406  0.355  1.0
  P  P19  1  0.249  0.408  0.855  1.0
  C  C20  1  0.238  0.958  0.137  1.0
  C  C21  1  0.239  0.961  0.638  1.0
  C  C22  1  0.763  0.038  0.368  1.0
  C  C23  1  0.756  0.057  0.849  1.0
  O  O24  1  0.781  0.893  0.349  1.0
  O  O25  1  0.744  0.914  0.825  1.0
  O  O26  1  0.245  0.928  0.013  1.0
  O  O27  1  0.248  0.922  0.516  1.0
  O  O28  1  0.248  0.845  0.225  1.0
  O  O29  1  0.244  0.853  0.731  1.0
  O  O30  1  0.936  0.684  0.099  1.0
  O  O31  1  0.565  0.674  0.112  1.0
  O  O32  1  0.927  0.699  0.598  1.0
  O  O33  1  0.556  0.679  0.601  1.0
  O  O34  1  0.773  0.562  0.303  1.0
  O  O35  1  0.226  0.570  0.410  1.0
  O  O36  1  0.755  0.568  0.797  1.0
  O  O37  1  0.256  0.563  0.923  1.0
  O  O38  1  0.769  0.421  0.091  1.0
  O  O39  1  0.222  0.421  0.203  1.0
  O  O40  1  0.771  0.431  0.584  1.0
  O  O41  1  0.221  0.437  0.704  1.0
  O  O42  1  0.441  0.320  0.392  1.0
  O  O43  1  0.072  0.299  0.412  1.0
  O  O44  1  0.443  0.308  0.881  1.0
  O  O45  1  0.076  0.305  0.911  1.0
  O  O46  1  0.758  0.137  0.267  1.0
  O  O47  1  0.778  0.158  0.752  1.0
  O  O48  1  0.749  0.090  0.486  1.0
  O  O49  1  0.749  0.105  0.968  1.0
  O  O50  1  0.222  0.097  0.176  1.0
  O  O51  1  0.225  0.103  0.670  1.0
[/CIF]
.
The material described by Na3Li3Fe2P2(CO7)2 crystallizes in the triclinic P1 space group. There are six inequivalent Na sites. In the first Na site, Na(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 Na site, Na(2) 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 third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(13), one O(14), one O(2), one O(3), one O(6), 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(10), one O(13), one O(14), one O(2), one O(3), one O(6), and one O(8) atom. In the fifth Na site, Na(5) 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 sixth Na site, Na(6) 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 six inequivalent Li sites. In the first Li site, Li(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 Li site, Li(2) is bonded in a distorted see-saw-like geometry to one O(1), one O(11), one O(12), and one O(9) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(15), one O(16), one O(22), and one O(27) atom. In the fourth Li site, Li(4) is bonded to one O(17), one O(18), one O(20), one O(24), and one O(28) atom to form 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(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-87°. In the fifth Li site, Li(5) is bonded in a 3-coordinate geometry to one O(19), one O(20), one O(27), and one O(4) atom. In the sixth Li site, Li(6) 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(5), one O(7), and one O(8) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. 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(4)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  an edgeedge with one Li(4)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, and  a cornercorner with one Li(4)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, and corners with two equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 48-61°. 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(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 39-58°. 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(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one Li(4)O5 trigonal bipyramid, and  a cornercorner with one Fe(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 36-54°. 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(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  a cornercorner with one Li(4)O5 trigonal bipyramid, and  a cornercorner with one Fe(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-56°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Li(2), and one C(3) atom. In the second O site, O(2) is bonded to one Na(3), one Na(4), one Li(1), and one C(4) atom to form a mixture of distorted edge and corner-sharing ONa2LiC tetrahedra. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Na(3), one Na(4), one Li(6), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Na(2), one Li(5), one Fe(2), and one C(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(2), one Fe(1), and one C(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(3), one Na(4), one Fe(2), and one C(2) atom. In the seventh O site, O(7) is bonded to one Na(1), one Na(3), one Fe(1), and one P(1) atom to form distorted ONa2FeP trigonal pyramids that share  a cornercorner with one O(13)Na2FeP tetrahedra,  a cornercorner with one O(2)Na2LiC tetrahedra,  a cornercorner with one O(11)NaLiFeP tetrahedra,  a cornercorner with one O(16)NaLiFeP tetrahedra, and  a cornercorner with one O(15)NaLiFeP trigonal pyramid. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(4), one Fe(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(3), one Li(1), one Li(2), one Fe(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Na(2), one Na(4), one Li(1), 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(7)Na2FeP trigonal pyramid and  a cornercorner with one O(15)NaLiFeP trigonal pyramid. In the twelfth O site, O(12) is bonded in a 4-coordinate 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 Na(4), one Fe(4), and one P(2) atom to form distorted ONa2FeP tetrahedra that share  a cornercorner with one O(7)Na2FeP trigonal pyramid,  a cornercorner with one O(15)NaLiFeP trigonal pyramid, and  an edgeedge with one O(2)Na2LiC tetrahedra. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Na(3), one Na(4), one Fe(1), and one P(4) atom. In the fifteenth O site, O(15) is bonded to one Na(5), one Li(3), one Fe(4), and one P(1) atom to form distorted ONaLiFeP trigonal pyramids that share  a cornercorner with one O(13)Na2FeP tetrahedra,  a cornercorner with one O(11)NaLiFeP tetrahedra, corners with two equivalent O(27)NaLi2C tetrahedra, corners with two equivalent O(16)NaLiFeP tetrahedra, and  a cornercorner with one O(7)Na2FeP trigonal pyramid. In the sixteenth O site, O(16) is bonded to one Na(5), one Li(3), one Fe(1), and one P(3) atom to form distorted ONaLiFeP tetrahedra that share  a cornercorner with one O(7)Na2FeP trigonal pyramid, corners with two equivalent O(15)NaLiFeP trigonal pyramids, and  an edgeedge with one O(27)NaLi2C tetrahedra. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to one Na(6), one Li(4), one Fe(3), and one P(2) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Na(6), one Li(4), one Fe(2), and one P(4) atom. In the nineteenth O site, O(19) is bonded in a 5-coordinate geometry to one Na(5), one Na(6), one Li(5), one Fe(3), and one P(3) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Fe(3), and one P(3) atom. In the twenty-first O site, O(21) is bonded in a 5-coordinate geometry to one Na(5), one Na(6), one Li(6), 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 Li(3), one Li(6), one Fe(4), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a 1-coordinate geometry to one Na(1), one Na(5), one Fe(3), and one C(3) atom. In the twenty-fourth O site, O(24) is bonded in a 5-coordinate geometry to one Na(6), one Li(1), one Li(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(6), one Li(1), 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(5), one Fe(4), and one C(4) atom. In the twenty-seventh O site, O(27) is bonded to one Na(5), one Li(3), one Li(5), and one C(1) atom to form a mixture of distorted edge and corner-sharing ONaLi2C tetrahedra. In the twenty-eighth O site, O(28) is bonded in a distorted tetrahedral geometry to one Na(6), one Li(4), one Li(6), and one C(2) atom. is represented by the CIF file [CIF]
data_Na3Li3Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.666
_cell_length_b   8.729
_cell_length_c   10.201
_cell_angle_alpha   87.688
_cell_angle_beta   89.688
_cell_angle_gamma   88.814
_symmetry_Int_Tables_number   1
_cell_volume   592.928
_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
  Na  Na0  1  0.762  0.917  0.122  1.0
  Na  Na1  1  0.501  0.740  0.372  1.0
  Na  Na2  1  0.000  0.741  0.875  1.0
  Na  Na3  1  0.499  0.742  0.877  1.0
  Na  Na4  1  0.500  0.255  0.125  1.0
  Na  Na5  1  0.499  0.260  0.627  1.0
  Li  Li6  1  0.772  0.916  0.623  1.0
  Li  Li7  1  0.969  0.716  0.383  1.0
  Li  Li8  1  0.026  0.276  0.116  1.0
  Li  Li9  1  0.015  0.275  0.625  1.0
  Li  Li10  1  0.218  0.090  0.377  1.0
  Li  Li11  1  0.232  0.096  0.872  1.0
  Fe  Fe12  1  0.249  0.643  0.117  1.0
  Fe  Fe13  1  0.243  0.658  0.606  1.0
  Fe  Fe14  1  0.756  0.339  0.393  1.0
  Fe  Fe15  1  0.759  0.348  0.891  1.0
  P  P16  1  0.761  0.582  0.150  1.0
  P  P17  1  0.752  0.590  0.645  1.0
  P  P18  1  0.241  0.406  0.355  1.0
  P  P19  1  0.249  0.408  0.855  1.0
  C  C20  1  0.238  0.958  0.137  1.0
  C  C21  1  0.239  0.961  0.638  1.0
  C  C22  1  0.763  0.038  0.368  1.0
  C  C23  1  0.756  0.057  0.849  1.0
  O  O24  1  0.781  0.893  0.349  1.0
  O  O25  1  0.744  0.914  0.825  1.0
  O  O26  1  0.245  0.928  0.013  1.0
  O  O27  1  0.248  0.922  0.516  1.0
  O  O28  1  0.248  0.845  0.225  1.0
  O  O29  1  0.244  0.853  0.731  1.0
  O  O30  1  0.936  0.684  0.099  1.0
  O  O31  1  0.565  0.674  0.112  1.0
  O  O32  1  0.927  0.699  0.598  1.0
  O  O33  1  0.556  0.679  0.601  1.0
  O  O34  1  0.773  0.562  0.303  1.0
  O  O35  1  0.226  0.570  0.410  1.0
  O  O36  1  0.755  0.568  0.797  1.0
  O  O37  1  0.256  0.563  0.923  1.0
  O  O38  1  0.769  0.421  0.091  1.0
  O  O39  1  0.222  0.421  0.203  1.0
  O  O40  1  0.771  0.431  0.584  1.0
  O  O41  1  0.221  0.437  0.704  1.0
  O  O42  1  0.441  0.320  0.392  1.0
  O  O43  1  0.072  0.299  0.412  1.0
  O  O44  1  0.443  0.308  0.881  1.0
  O  O45  1  0.076  0.305  0.911  1.0
  O  O46  1  0.758  0.137  0.267  1.0
  O  O47  1  0.778  0.158  0.752  1.0
  O  O48  1  0.749  0.090  0.486  1.0
  O  O49  1  0.749  0.105  0.968  1.0
  O  O50  1  0.222  0.097  0.176  1.0
  O  O51  1  0.225  0.103  0.670  1.0
[/CIF]
.