The material structure described by NaLi5Fe2P2(CO7)2 crystallizes in the triclinic P1 space group. There are two 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(17), one O(18), one O(19), one O(21), one O(24), one O(25), and one O(28) atom. There are ten 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 to one O(1), one O(11), one O(12), one O(5), and one O(9) 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(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 70-88°. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(11), one O(12), and one O(5) atom. In the fourth Li site, Li(4) 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,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Li(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 69-88°. In the fifth Li site, Li(5) is bonded to one O(13), one O(14), one O(2), one O(6), and one O(8) 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(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Li(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 67-84°. In the sixth Li site, Li(6) 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 seventh Li site, Li(7) 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 66-93°. In the eighth Li site, Li(8) 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 63-89°. In the ninth Li site, Li(9) 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 tenth Li site, Li(10) 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,  a cornercorner with one Li(7)O5 trigonal bipyramid,  an edgeedge with one Li(4)O5 trigonal bipyramid, and  an edgeedge with one Li(5)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,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Li(8)O5 trigonal bipyramid, and  an edgeedge with one Li(2)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,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid, and  an edgeedge with one Li(8)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(4)O5 trigonal bipyramid,  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. 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(2)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  a cornercorner with one Li(7)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 43-63°. 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,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  a cornercorner with one Li(8)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-60°. 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,  a cornercorner with one Li(2)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 39-61°. 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(4)O5 trigonal bipyramid,  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 44-61°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Li(2), one Li(3), and one C(3) atom to form a mixture of distorted corner and edge-sharing ONaLi2C trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(4), one Li(5), and one C(4) atom to form distorted OLi3C tetrahedra that share  a cornercorner with one O(9)Li2FeP tetrahedra, corners with two equivalent O(6)Li2FeC trigonal pyramids, corners with two equivalent O(14)Li2FeP trigonal pyramids,  an edgeedge with one O(13)Li2FeP tetrahedra, and  an edgeedge with one O(24)NaLi2FeC trigonal bipyramid. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(10), one Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(9), one Fe(2), and one C(2) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one Li(2), one Li(3), one Li(9), one Fe(1), and one C(1) atom. In the sixth O site, O(6) is bonded to one Li(4), one Li(5), one Fe(2), and one C(2) atom to form distorted OLi2FeC trigonal pyramids that share  a cornercorner with one O(9)Li2FeP tetrahedra,  a cornercorner with one O(28)NaLi2C tetrahedra,  a cornercorner with one O(18)NaLiFeP tetrahedra, corners with two equivalent O(13)Li2FeP tetrahedra, corners with two equivalent O(2)Li3C tetrahedra, and  an edgeedge with one O(14)Li2FeP trigonal pyramid. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(1), one Li(4), one Fe(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(1), one Li(5), one Fe(1), and one P(1) atom. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one Fe(2), and one P(2) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(11)Li2FeP tetrahedra,  a cornercorner with one O(13)Li2FeP tetrahedra,  a cornercorner with one O(2)Li3C tetrahedra,  a cornercorner with one O(18)NaLiFeP tetrahedra,  a cornercorner with one O(24)NaLi2FeC trigonal bipyramid,  a cornercorner with one O(6)Li2FeC trigonal pyramid, and  a cornercorner with one O(1)NaLi2C trigonal pyramid. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Fe(2), and one P(2) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Li(3), one Fe(3), and one P(1) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(9)Li2FeP tetrahedra,  a cornercorner with one O(15)Li2FeP trigonal pyramid,  a cornercorner with one O(20)Li2FeP trigonal pyramid, and  an edgeedge with one O(1)NaLi2C trigonal pyramid. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Fe(2), and one P(3) atom. In the thirteenth O site, O(13) is bonded to one Li(4), one Li(5), one Fe(4), and one P(2) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(9)Li2FeP tetrahedra,  a cornercorner with one O(24)NaLi2FeC trigonal bipyramid,  a cornercorner with one O(15)Li2FeP trigonal pyramid,  a cornercorner with one O(22)Li2FeP trigonal pyramid, corners with two equivalent O(6)Li2FeC trigonal pyramids, corners with two equivalent O(14)Li2FeP trigonal pyramids, and  an edgeedge with one O(2)Li3C tetrahedra. In the fourteenth O site, O(14) is bonded to one Li(4), one Li(5), one Fe(1), 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(18)NaLiFeP tetrahedra, corners with two equivalent O(13)Li2FeP tetrahedra, corners with two equivalent O(2)Li3C tetrahedra,  a cornercorner with one O(22)Li2FeP trigonal pyramid, and  an edgeedge with one O(6)Li2FeC trigonal pyramid. In the fifteenth O site, O(15) is bonded to one Li(6), one Li(7), one Fe(4), and one P(1) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(11)Li2FeP tetrahedra,  a cornercorner with one O(13)Li2FeP tetrahedra, corners with two equivalent O(16)Li2FeP tetrahedra, corners with two equivalent O(27)Li3C tetrahedra,  a cornercorner with one O(24)NaLi2FeC trigonal bipyramid, and  an edgeedge with one O(22)Li2FeP trigonal pyramid. In the sixteenth O site, O(16) is bonded to one Li(6), one Li(7), one Fe(1), and one P(3) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(14)Li2FeP trigonal pyramid,  a cornercorner with one O(20)Li2FeP trigonal pyramid,  a cornercorner with one O(22)Li2FeP trigonal pyramid, corners with two equivalent O(15)Li2FeP trigonal pyramids, and  an edgeedge with one O(27)Li3C tetrahedra. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Li(8), one Fe(3), and one P(2) atom. In the eighteenth O site, O(18) is bonded to one Na(2), one Li(8), one Fe(2), and one P(4) atom to form distorted ONaLiFeP tetrahedra that share  a cornercorner with one O(9)Li2FeP tetrahedra, corners with two equivalent O(24)NaLi2FeC trigonal bipyramids,  a cornercorner with one O(6)Li2FeC trigonal pyramid,  a cornercorner with one O(14)Li2FeP trigonal pyramid,  a cornercorner with one O(20)Li2FeP trigonal pyramid,  a cornercorner with one O(22)Li2FeP trigonal pyramid, 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(2), one Li(9), one Fe(3), and one P(3) atom. In the twentieth O site, O(20) is bonded to one Li(8), one Li(9), one Fe(3), and one P(3) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(11)Li2FeP tetrahedra,  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(18)NaLiFeP tetrahedra, and  a cornercorner with one O(24)NaLi2FeC trigonal bipyramid. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Na(2), one Li(10), one Li(6), one Fe(4), and one P(4) atom. In the twenty-second O site, O(22) is bonded to one Li(10), one Li(7), one Fe(4), and one P(4) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(13)Li2FeP tetrahedra,  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(18)NaLiFeP tetrahedra,  a cornercorner with one O(24)NaLi2FeC trigonal bipyramid,  a cornercorner with one O(14)Li2FeP trigonal pyramid, and  an edgeedge with one O(15)Li2FeP trigonal pyramid. In the twenty-third O site, O(23) is bonded in a distorted single-bond geometry to one Na(1), one Li(6), one Li(7), one Fe(3), and one C(3) atom. In the twenty-fourth O site, O(24) is bonded to one Na(2), one Li(1), one Li(8), one Fe(4), and one C(4) atom to form distorted ONaLi2FeC trigonal bipyramids that share  a cornercorner with one O(13)Li2FeP tetrahedra,  a cornercorner with one O(9)Li2FeP tetrahedra, corners with two equivalent O(28)NaLi2C tetrahedra, corners with two equivalent O(18)NaLiFeP tetrahedra,  a cornercorner with one O(15)Li2FeP trigonal pyramid,  a cornercorner with one O(20)Li2FeP trigonal pyramid,  a cornercorner with one O(22)Li2FeP trigonal pyramid, and  an edgeedge with one O(2)Li3C tetrahedra. In the twenty-fifth O site, O(25) is bonded in a 4-coordinate geometry to one Na(2), one Li(1), one Fe(3), and one C(3) atom. In the twenty-sixth O site, O(26) is bonded in a 3-coordinate geometry to one Na(1), one Fe(4), and one C(4) atom. In the twenty-seventh O site, O(27) is bonded to one Li(6), one Li(7), one Li(9), and one C(1) atom to form a mixture of corner and edge-sharing OLi3C tetrahedra. In the twenty-eighth O site, O(28) is bonded to one Na(2), one Li(10), one Li(8), and one C(2) atom to form distorted ONaLi2C tetrahedra that share corners with two equivalent O(24)NaLi2FeC trigonal bipyramids,  a cornercorner with one O(6)Li2FeC trigonal pyramid,  a cornercorner with one O(20)Li2FeP trigonal pyramid,  a cornercorner with one O(22)Li2FeP trigonal pyramid, and  an edgeedge with one O(18)NaLiFeP tetrahedra. is represented by the CIF file [CIF]
data_NaLi5Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.504
_cell_length_b   8.565
_cell_length_c   10.243
_cell_angle_alpha   85.424
_cell_angle_beta   89.722
_cell_angle_gamma   89.373
_symmetry_Int_Tables_number   1
_cell_volume   568.709
_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  0.749  0.913  0.122  1.0
  Na  Na1  1  0.495  0.259  0.626  1.0
  Li  Li2  1  0.779  0.916  0.622  1.0
  Li  Li3  1  0.974  0.718  0.380  1.0
  Li  Li4  1  0.530  0.715  0.381  1.0
  Li  Li5  1  0.974  0.719  0.873  1.0
  Li  Li6  1  0.514  0.726  0.868  1.0
  Li  Li7  1  0.472  0.282  0.126  1.0
  Li  Li8  1  0.028  0.284  0.124  1.0
  Li  Li9  1  0.022  0.277  0.628  1.0
  Li  Li10  1  0.239  0.092  0.383  1.0
  Li  Li11  1  0.234  0.104  0.891  1.0
  Fe  Fe12  1  0.246  0.667  0.104  1.0
  Fe  Fe13  1  0.248  0.666  0.605  1.0
  Fe  Fe14  1  0.761  0.334  0.390  1.0
  Fe  Fe15  1  0.752  0.338  0.892  1.0
  P  P16  1  0.747  0.579  0.137  1.0
  P  P17  1  0.755  0.590  0.637  1.0
  P  P18  1  0.252  0.413  0.355  1.0
  P  P19  1  0.246  0.417  0.858  1.0
  C  C20  1  0.246  0.967  0.151  1.0
  C  C21  1  0.242  0.961  0.658  1.0
  C  C22  1  0.752  0.030  0.362  1.0
  C  C23  1  0.758  0.041  0.843  1.0
  O  O24  1  0.746  0.882  0.345  1.0
  O  O25  1  0.752  0.893  0.823  1.0
  O  O26  1  0.243  0.932  0.030  1.0
  O  O27  1  0.245  0.935  0.535  1.0
  O  O28  1  0.240  0.854  0.244  1.0
  O  O29  1  0.256  0.842  0.746  1.0
  O  O30  1  0.933  0.675  0.079  1.0
  O  O31  1  0.558  0.679  0.086  1.0
  O  O32  1  0.934  0.701  0.590  1.0
  O  O33  1  0.560  0.678  0.583  1.0
  O  O34  1  0.753  0.569  0.290  1.0
  O  O35  1  0.244  0.577  0.409  1.0
  O  O36  1  0.748  0.571  0.790  1.0
  O  O37  1  0.251  0.581  0.910  1.0
  O  O38  1  0.743  0.411  0.092  1.0
  O  O39  1  0.241  0.433  0.202  1.0
  O  O40  1  0.778  0.428  0.583  1.0
  O  O41  1  0.227  0.435  0.706  1.0
  O  O42  1  0.448  0.317  0.397  1.0
  O  O43  1  0.074  0.305  0.411  1.0
  O  O44  1  0.437  0.314  0.901  1.0
  O  O45  1  0.065  0.316  0.919  1.0
  O  O46  1  0.763  0.134  0.261  1.0
  O  O47  1  0.771  0.146  0.743  1.0
  O  O48  1  0.747  0.080  0.478  1.0
  O  O49  1  0.751  0.090  0.959  1.0
  O  O50  1  0.255  0.112  0.180  1.0
  O  O51  1  0.225  0.102  0.695  1.0
[/CIF]
.
The material structure described by NaLi5Fe2P2(CO7)2 crystallizes in the triclinic P1 space group. There are two 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(17), one O(18), one O(19), one O(21), one O(24), one O(25), and one O(28) atom. There are ten 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 to one O(1), one O(11), one O(12), one O(5), and one O(9) 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(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 70-88°. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(11), one O(12), and one O(5) atom. In the fourth Li site, Li(4) 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,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Li(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 69-88°. In the fifth Li site, Li(5) is bonded to one O(13), one O(14), one O(2), one O(6), and one O(8) 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(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Li(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 67-84°. In the sixth Li site, Li(6) 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 seventh Li site, Li(7) 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 66-93°. In the eighth Li site, Li(8) 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 63-89°. In the ninth Li site, Li(9) 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 tenth Li site, Li(10) 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,  a cornercorner with one Li(7)O5 trigonal bipyramid,  an edgeedge with one Li(4)O5 trigonal bipyramid, and  an edgeedge with one Li(5)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,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Li(8)O5 trigonal bipyramid, and  an edgeedge with one Li(2)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,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid, and  an edgeedge with one Li(8)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(4)O5 trigonal bipyramid,  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. 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(2)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  a cornercorner with one Li(7)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 43-63°. 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,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  a cornercorner with one Li(8)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-60°. 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,  a cornercorner with one Li(2)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 39-61°. 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(4)O5 trigonal bipyramid,  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 44-61°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Li(2), one Li(3), and one C(3) atom to form a mixture of distorted corner and edge-sharing ONaLi2C trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(4), one Li(5), and one C(4) atom to form distorted OLi3C tetrahedra that share  a cornercorner with one O(9)Li2FeP tetrahedra, corners with two equivalent O(6)Li2FeC trigonal pyramids, corners with two equivalent O(14)Li2FeP trigonal pyramids,  an edgeedge with one O(13)Li2FeP tetrahedra, and  an edgeedge with one O(24)NaLi2FeC trigonal bipyramid. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(10), one Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(9), one Fe(2), and one C(2) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one Li(2), one Li(3), one Li(9), one Fe(1), and one C(1) atom. In the sixth O site, O(6) is bonded to one Li(4), one Li(5), one Fe(2), and one C(2) atom to form distorted OLi2FeC trigonal pyramids that share  a cornercorner with one O(9)Li2FeP tetrahedra,  a cornercorner with one O(28)NaLi2C tetrahedra,  a cornercorner with one O(18)NaLiFeP tetrahedra, corners with two equivalent O(13)Li2FeP tetrahedra, corners with two equivalent O(2)Li3C tetrahedra, and  an edgeedge with one O(14)Li2FeP trigonal pyramid. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(1), one Li(4), one Fe(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(1), one Li(5), one Fe(1), and one P(1) atom. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one Fe(2), and one P(2) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(11)Li2FeP tetrahedra,  a cornercorner with one O(13)Li2FeP tetrahedra,  a cornercorner with one O(2)Li3C tetrahedra,  a cornercorner with one O(18)NaLiFeP tetrahedra,  a cornercorner with one O(24)NaLi2FeC trigonal bipyramid,  a cornercorner with one O(6)Li2FeC trigonal pyramid, and  a cornercorner with one O(1)NaLi2C trigonal pyramid. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Fe(2), and one P(2) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Li(3), one Fe(3), and one P(1) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(9)Li2FeP tetrahedra,  a cornercorner with one O(15)Li2FeP trigonal pyramid,  a cornercorner with one O(20)Li2FeP trigonal pyramid, and  an edgeedge with one O(1)NaLi2C trigonal pyramid. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Fe(2), and one P(3) atom. In the thirteenth O site, O(13) is bonded to one Li(4), one Li(5), one Fe(4), and one P(2) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(9)Li2FeP tetrahedra,  a cornercorner with one O(24)NaLi2FeC trigonal bipyramid,  a cornercorner with one O(15)Li2FeP trigonal pyramid,  a cornercorner with one O(22)Li2FeP trigonal pyramid, corners with two equivalent O(6)Li2FeC trigonal pyramids, corners with two equivalent O(14)Li2FeP trigonal pyramids, and  an edgeedge with one O(2)Li3C tetrahedra. In the fourteenth O site, O(14) is bonded to one Li(4), one Li(5), one Fe(1), 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(18)NaLiFeP tetrahedra, corners with two equivalent O(13)Li2FeP tetrahedra, corners with two equivalent O(2)Li3C tetrahedra,  a cornercorner with one O(22)Li2FeP trigonal pyramid, and  an edgeedge with one O(6)Li2FeC trigonal pyramid. In the fifteenth O site, O(15) is bonded to one Li(6), one Li(7), one Fe(4), and one P(1) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(11)Li2FeP tetrahedra,  a cornercorner with one O(13)Li2FeP tetrahedra, corners with two equivalent O(16)Li2FeP tetrahedra, corners with two equivalent O(27)Li3C tetrahedra,  a cornercorner with one O(24)NaLi2FeC trigonal bipyramid, and  an edgeedge with one O(22)Li2FeP trigonal pyramid. In the sixteenth O site, O(16) is bonded to one Li(6), one Li(7), one Fe(1), and one P(3) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(14)Li2FeP trigonal pyramid,  a cornercorner with one O(20)Li2FeP trigonal pyramid,  a cornercorner with one O(22)Li2FeP trigonal pyramid, corners with two equivalent O(15)Li2FeP trigonal pyramids, and  an edgeedge with one O(27)Li3C tetrahedra. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Li(8), one Fe(3), and one P(2) atom. In the eighteenth O site, O(18) is bonded to one Na(2), one Li(8), one Fe(2), and one P(4) atom to form distorted ONaLiFeP tetrahedra that share  a cornercorner with one O(9)Li2FeP tetrahedra, corners with two equivalent O(24)NaLi2FeC trigonal bipyramids,  a cornercorner with one O(6)Li2FeC trigonal pyramid,  a cornercorner with one O(14)Li2FeP trigonal pyramid,  a cornercorner with one O(20)Li2FeP trigonal pyramid,  a cornercorner with one O(22)Li2FeP trigonal pyramid, 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(2), one Li(9), one Fe(3), and one P(3) atom. In the twentieth O site, O(20) is bonded to one Li(8), one Li(9), one Fe(3), and one P(3) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(11)Li2FeP tetrahedra,  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(18)NaLiFeP tetrahedra, and  a cornercorner with one O(24)NaLi2FeC trigonal bipyramid. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Na(2), one Li(10), one Li(6), one Fe(4), and one P(4) atom. In the twenty-second O site, O(22) is bonded to one Li(10), one Li(7), one Fe(4), and one P(4) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(13)Li2FeP tetrahedra,  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(18)NaLiFeP tetrahedra,  a cornercorner with one O(24)NaLi2FeC trigonal bipyramid,  a cornercorner with one O(14)Li2FeP trigonal pyramid, and  an edgeedge with one O(15)Li2FeP trigonal pyramid. In the twenty-third O site, O(23) is bonded in a distorted single-bond geometry to one Na(1), one Li(6), one Li(7), one Fe(3), and one C(3) atom. In the twenty-fourth O site, O(24) is bonded to one Na(2), one Li(1), one Li(8), one Fe(4), and one C(4) atom to form distorted ONaLi2FeC trigonal bipyramids that share  a cornercorner with one O(13)Li2FeP tetrahedra,  a cornercorner with one O(9)Li2FeP tetrahedra, corners with two equivalent O(28)NaLi2C tetrahedra, corners with two equivalent O(18)NaLiFeP tetrahedra,  a cornercorner with one O(15)Li2FeP trigonal pyramid,  a cornercorner with one O(20)Li2FeP trigonal pyramid,  a cornercorner with one O(22)Li2FeP trigonal pyramid, and  an edgeedge with one O(2)Li3C tetrahedra. In the twenty-fifth O site, O(25) is bonded in a 4-coordinate geometry to one Na(2), one Li(1), one Fe(3), and one C(3) atom. In the twenty-sixth O site, O(26) is bonded in a 3-coordinate geometry to one Na(1), one Fe(4), and one C(4) atom. In the twenty-seventh O site, O(27) is bonded to one Li(6), one Li(7), one Li(9), and one C(1) atom to form a mixture of corner and edge-sharing OLi3C tetrahedra. In the twenty-eighth O site, O(28) is bonded to one Na(2), one Li(10), one Li(8), and one C(2) atom to form distorted ONaLi2C tetrahedra that share corners with two equivalent O(24)NaLi2FeC trigonal bipyramids,  a cornercorner with one O(6)Li2FeC trigonal pyramid,  a cornercorner with one O(20)Li2FeP trigonal pyramid,  a cornercorner with one O(22)Li2FeP trigonal pyramid, and  an edgeedge with one O(18)NaLiFeP tetrahedra. is represented by the CIF file [CIF]
data_NaLi5Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.504
_cell_length_b   8.565
_cell_length_c   10.243
_cell_angle_alpha   85.424
_cell_angle_beta   89.722
_cell_angle_gamma   89.373
_symmetry_Int_Tables_number   1
_cell_volume   568.709
_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  0.749  0.913  0.122  1.0
  Na  Na1  1  0.495  0.259  0.626  1.0
  Li  Li2  1  0.779  0.916  0.622  1.0
  Li  Li3  1  0.974  0.718  0.380  1.0
  Li  Li4  1  0.530  0.715  0.381  1.0
  Li  Li5  1  0.974  0.719  0.873  1.0
  Li  Li6  1  0.514  0.726  0.868  1.0
  Li  Li7  1  0.472  0.282  0.126  1.0
  Li  Li8  1  0.028  0.284  0.124  1.0
  Li  Li9  1  0.022  0.277  0.628  1.0
  Li  Li10  1  0.239  0.092  0.383  1.0
  Li  Li11  1  0.234  0.104  0.891  1.0
  Fe  Fe12  1  0.246  0.667  0.104  1.0
  Fe  Fe13  1  0.248  0.666  0.605  1.0
  Fe  Fe14  1  0.761  0.334  0.390  1.0
  Fe  Fe15  1  0.752  0.338  0.892  1.0
  P  P16  1  0.747  0.579  0.137  1.0
  P  P17  1  0.755  0.590  0.637  1.0
  P  P18  1  0.252  0.413  0.355  1.0
  P  P19  1  0.246  0.417  0.858  1.0
  C  C20  1  0.246  0.967  0.151  1.0
  C  C21  1  0.242  0.961  0.658  1.0
  C  C22  1  0.752  0.030  0.362  1.0
  C  C23  1  0.758  0.041  0.843  1.0
  O  O24  1  0.746  0.882  0.345  1.0
  O  O25  1  0.752  0.893  0.823  1.0
  O  O26  1  0.243  0.932  0.030  1.0
  O  O27  1  0.245  0.935  0.535  1.0
  O  O28  1  0.240  0.854  0.244  1.0
  O  O29  1  0.256  0.842  0.746  1.0
  O  O30  1  0.933  0.675  0.079  1.0
  O  O31  1  0.558  0.679  0.086  1.0
  O  O32  1  0.934  0.701  0.590  1.0
  O  O33  1  0.560  0.678  0.583  1.0
  O  O34  1  0.753  0.569  0.290  1.0
  O  O35  1  0.244  0.577  0.409  1.0
  O  O36  1  0.748  0.571  0.790  1.0
  O  O37  1  0.251  0.581  0.910  1.0
  O  O38  1  0.743  0.411  0.092  1.0
  O  O39  1  0.241  0.433  0.202  1.0
  O  O40  1  0.778  0.428  0.583  1.0
  O  O41  1  0.227  0.435  0.706  1.0
  O  O42  1  0.448  0.317  0.397  1.0
  O  O43  1  0.074  0.305  0.411  1.0
  O  O44  1  0.437  0.314  0.901  1.0
  O  O45  1  0.065  0.316  0.919  1.0
  O  O46  1  0.763  0.134  0.261  1.0
  O  O47  1  0.771  0.146  0.743  1.0
  O  O48  1  0.747  0.080  0.478  1.0
  O  O49  1  0.751  0.090  0.959  1.0
  O  O50  1  0.255  0.112  0.180  1.0
  O  O51  1  0.225  0.102  0.695  1.0
[/CIF]
.