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 6-coordinate geometry to one O(10), one O(24), one O(26), one O(9), and two equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(14), one O(3), one O(5), and two equivalent O(7) atoms. There are ten 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(25), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded to one O(1), one O(11), one O(13), one O(6), and one O(8) 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(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-91°. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(12), one O(13), one O(2), one O(6), and one O(9) atom. In the fourth Li site, Li(4) is bonded to one O(10), one O(12), one O(14), one O(2), and one O(5) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 66°. In the fifth Li site, Li(5) is bonded to one O(15), one O(17), one O(19), one O(23), and one O(28) 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(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Li(8)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 65-88°. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to one O(16), one O(17), one O(20), one O(24), one O(26), and one O(28) atom. In the seventh Li site, Li(7) is bonded in a 6-coordinate geometry to one O(16), one O(18), one O(21), one O(24), one O(26), and one O(27) atom. In the eighth Li site, Li(8) is bonded to one O(15), one O(18), one O(22), one O(23), and one O(27) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Li(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 87°. In the ninth Li site, Li(9) is bonded in a 5-coordinate geometry to one O(21), one O(22), one O(27), one O(3), and one O(5) atom. In the tenth Li site, Li(10) is bonded in a 5-coordinate geometry to one O(19), one O(20), one O(28), one O(4), and one O(6) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(13), one O(17), one O(4), one O(6), one O(8), and one O(9) 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(5)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one O(10), one O(14), one O(18), one O(3), one O(5), and one O(7) atom. In the third Fe site, Fe(3) is bonded to one O(11), one O(15), one O(19), one O(22), one O(23), and one O(25) 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(2)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Li(8)O5 trigonal bipyramid,  an edgeedge with one Li(5)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(12), one O(16), one O(20), one O(21), one O(24), and one O(26) 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, 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(28), one O(4), and one O(6) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(27), one O(3), and one O(5) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(2), one O(24), and one O(26) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(1), one O(23), and one O(25) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(12), one O(16), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, and corners with two equivalent Li(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 43-66°. In the second P site, P(2) 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(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Li(8)O5 trigonal bipyramid, and corners with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 48-62°. In the third P site, P(3) is bonded to one O(13), one O(17), one O(19), and one O(20) 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, and corners with two equivalent Li(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 48-64°. 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(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Li(4)O5 trigonal bipyramid, and corners with two equivalent Li(8)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 45-51°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), one Li(1), one Li(2), and one C(4) atom to form distorted ONaLi2C tetrahedra that share  a cornercorner with one O(6)Li3FeC trigonal bipyramid, corners with two equivalent O(8)Li2FeP trigonal pyramids, and  an edgeedge with one O(11)NaLiFeP tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Li(3), one Li(4), and one C(3) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Na(2), one Li(9), one Fe(2), and one C(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(10), one Fe(1), and one C(1) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one Na(2), one Li(4), one Li(9), one Fe(2), and one C(2) atom. In the sixth O site, O(6) is bonded to one Li(10), one Li(2), one Li(3), one Fe(1), and one C(1) atom to form distorted OLi3FeC trigonal bipyramids that share  a cornercorner with one O(12)Li2FeP tetrahedra,  a cornercorner with one O(17)Li2FeP tetrahedra,  a cornercorner with one O(1)NaLi2C tetrahedra,  a cornercorner with one O(11)NaLiFeP tetrahedra,  a cornercorner with one O(19)Li2FeP trigonal pyramid,  a cornercorner with one O(20)Li2FeP trigonal pyramid, corners with two equivalent O(8)Li2FeP trigonal pyramids, and  an edgeedge with one O(28)Li3C tetrahedra. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to two equivalent Na(2), one Li(1), one Fe(2), and one P(2) atom. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Fe(1), and one P(2) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(17)Li2FeP tetrahedra, corners with two equivalent O(1)NaLi2C tetrahedra, corners with two equivalent O(11)NaLiFeP tetrahedra, corners with two equivalent O(6)Li3FeC trigonal bipyramids, and  a cornercorner with one O(15)Li2FeP trigonal pyramid. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(1), one Li(3), one Fe(1), and one P(1) atom. In the tenth O site, O(10) is bonded to one Na(1), one Li(4), one Fe(2), and one P(1) atom to form distorted ONaLiFeP trigonal pyramids that share  a cornercorner with one O(18)Li2FeP tetrahedra, corners with two equivalent O(12)Li2FeP tetrahedra, and  a cornercorner with one O(24)NaLi2FeC trigonal bipyramid. In the eleventh O site, O(11) is bonded to one Na(2), one Li(2), one Fe(3), and one P(2) atom to form distorted ONaLiFeP tetrahedra that share  a cornercorner with one O(6)Li3FeC trigonal bipyramid,  a cornercorner with one O(19)Li2FeP trigonal pyramid, corners with two equivalent O(15)Li2FeP trigonal pyramids, corners with two equivalent O(8)Li2FeP trigonal pyramids, and  an edgeedge with one O(1)NaLi2C tetrahedra. In the twelfth O site, O(12) is bonded to one Li(3), one Li(4), one Fe(4), and one P(1) atom to form OLi2FeP tetrahedra that share  a cornercorner with one O(6)Li3FeC trigonal bipyramid,  a cornercorner with one O(24)NaLi2FeC trigonal bipyramid,  a cornercorner with one O(20)Li2FeP trigonal pyramid,  a cornercorner with one O(21)Li2FeP trigonal pyramid, and corners with two equivalent O(10)NaLiFeP trigonal pyramids. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Fe(1), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Li(4), one Fe(2), and one P(4) atom. In the fifteenth O site, O(15) is bonded to one Li(5), one Li(8), one Fe(3), and one P(2) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(17)Li2FeP tetrahedra,  a cornercorner with one O(18)Li2FeP tetrahedra,  a cornercorner with one O(27)Li3C tetrahedra,  a cornercorner with one O(28)Li3C tetrahedra, corners with two equivalent O(11)NaLiFeP tetrahedra,  a cornercorner with one O(8)Li2FeP trigonal pyramid, and  an edgeedge with one O(19)Li2FeP trigonal pyramid. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(6), one Li(7), one Fe(4), and one P(1) atom. In the seventeenth O site, O(17) is bonded to one Li(5), one Li(6), one Fe(1), and one P(3) atom to form OLi2FeP tetrahedra that share  a cornercorner with one O(6)Li3FeC trigonal bipyramid,  a cornercorner with one O(24)NaLi2FeC trigonal bipyramid,  a cornercorner with one O(15)Li2FeP trigonal pyramid,  a cornercorner with one O(8)Li2FeP trigonal pyramid, corners with two equivalent O(19)Li2FeP trigonal pyramids, corners with two equivalent O(20)Li2FeP trigonal pyramids, and  an edgeedge with one O(28)Li3C tetrahedra. In the eighteenth O site, O(18) is bonded to one Li(7), one Li(8), one Fe(2), and one P(4) atom to form OLi2FeP tetrahedra that share  a cornercorner with one O(24)NaLi2FeC trigonal bipyramid,  a cornercorner with one O(15)Li2FeP trigonal pyramid,  a cornercorner with one O(10)NaLiFeP trigonal pyramid, corners with two equivalent O(21)Li2FeP trigonal pyramids, and  an edgeedge with one O(27)Li3C tetrahedra. In the nineteenth O site, O(19) is bonded to one Li(10), one Li(5), one Fe(3), and one P(3) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(11)NaLiFeP tetrahedra, corners with two equivalent O(17)Li2FeP tetrahedra, corners with two equivalent O(28)Li3C tetrahedra,  a cornercorner with one O(6)Li3FeC trigonal bipyramid,  an edgeedge with one O(15)Li2FeP trigonal pyramid, and  an edgeedge with one O(20)Li2FeP trigonal pyramid. In the twentieth O site, O(20) is bonded to one Li(10), one Li(6), one Fe(4), and one P(3) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(12)Li2FeP tetrahedra, corners with two equivalent O(17)Li2FeP tetrahedra, corners with two equivalent O(28)Li3C tetrahedra,  a cornercorner with one O(6)Li3FeC trigonal bipyramid, corners with two equivalent O(24)NaLi2FeC trigonal bipyramids,  a cornercorner with one O(21)Li2FeP trigonal pyramid, and  an edgeedge with one O(19)Li2FeP trigonal pyramid. In the twenty-first O site, O(21) is bonded to one Li(7), one Li(9), one Fe(4), and one P(4) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(12)Li2FeP tetrahedra, corners with two equivalent O(18)Li2FeP tetrahedra, corners with two equivalent O(27)Li3C tetrahedra, corners with two equivalent O(24)NaLi2FeC trigonal bipyramids, and  a cornercorner with one O(20)Li2FeP trigonal pyramid. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Li(8), one Li(9), one Fe(3), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a 5-coordinate geometry to one Li(1), one Li(5), one Li(8), one Fe(3), and one C(4) atom. In the twenty-fourth O site, O(24) is bonded to one Na(1), one Li(6), one Li(7), one Fe(4), and one C(3) atom to form distorted ONaLi2FeC trigonal bipyramids that share  a cornercorner with one O(12)Li2FeP tetrahedra,  a cornercorner with one O(17)Li2FeP tetrahedra,  a cornercorner with one O(18)Li2FeP tetrahedra,  a cornercorner with one O(27)Li3C tetrahedra,  a cornercorner with one O(28)Li3C tetrahedra,  a cornercorner with one O(10)NaLiFeP trigonal pyramid, corners with two equivalent O(20)Li2FeP trigonal pyramids, and corners with two equivalent O(21)Li2FeP trigonal pyramids. In the twenty-fifth O site, O(25) is bonded in a 2-coordinate geometry to one Li(1), one Fe(3), and one C(4) atom. In the twenty-sixth O site, O(26) is bonded in a 1-coordinate geometry to one Na(1), one Li(6), one Li(7), one Fe(4), and one C(3) atom. In the twenty-seventh O site, O(27) is bonded to one Li(7), one Li(8), one Li(9), and one C(2) atom to form distorted OLi3C tetrahedra that share  a cornercorner with one O(24)NaLi2FeC trigonal bipyramid,  a cornercorner with one O(15)Li2FeP trigonal pyramid, corners with two equivalent O(21)Li2FeP trigonal pyramids, and  an edgeedge with one O(18)Li2FeP tetrahedra. In the twenty-eighth O site, O(28) is bonded to one Li(10), one Li(5), one Li(6), and one C(1) atom to form distorted OLi3C tetrahedra that share  a cornercorner with one O(24)NaLi2FeC trigonal bipyramid,  a cornercorner with one O(15)Li2FeP trigonal pyramid, corners with two equivalent O(19)Li2FeP trigonal pyramids, corners with two equivalent O(20)Li2FeP trigonal pyramids,  an edgeedge with one O(17)Li2FeP tetrahedra, and  an edgeedge with one O(6)Li3FeC trigonal bipyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLi5Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.019
_cell_length_b   8.624
_cell_length_c   13.090
_cell_angle_alpha   90.496
_cell_angle_beta   90.001
_cell_angle_gamma   92.541
_symmetry_Int_Tables_number   1
_cell_volume   565.958
_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  0.754  0.914  0.377  1.0
  Na  Na1  1  0.248  0.746  0.999  1.0
  Li  Li2  1  0.752  0.916  0.868  1.0
  Li  Li3  1  0.240  0.730  0.755  1.0
  Li  Li4  1  0.238  0.734  0.498  1.0
  Li  Li5  1  0.227  0.728  0.261  1.0
  Li  Li6  1  0.762  0.269  0.741  1.0
  Li  Li7  1  0.771  0.270  0.510  1.0
  Li  Li8  1  0.771  0.265  0.244  1.0
  Li  Li9  1  0.757  0.266  0.004  1.0
  Li  Li10  1  0.251  0.092  0.130  1.0
  Li  Li11  1  0.249  0.085  0.625  1.0
  Fe  Fe12  1  0.787  0.652  0.626  1.0
  Fe  Fe13  1  0.774  0.647  0.126  1.0
  Fe  Fe14  1  0.212  0.347  0.874  1.0
  Fe  Fe15  1  0.224  0.350  0.375  1.0
  P  P16  1  0.708  0.583  0.376  1.0
  P  P17  1  0.702  0.590  0.872  1.0
  P  P18  1  0.294  0.409  0.626  1.0
  P  P19  1  0.290  0.408  0.126  1.0
  C  C20  1  0.720  0.957  0.623  1.0
  C  C21  1  0.733  0.958  0.128  1.0
  C  C22  1  0.270  0.049  0.375  1.0
  C  C23  1  0.284  0.046  0.870  1.0
  O  O24  1  0.339  0.901  0.859  1.0
  O  O25  1  0.281  0.899  0.377  1.0
  O  O26  1  0.977  0.916  0.127  1.0
  O  O27  1  0.963  0.912  0.623  1.0
  O  O28  1  0.540  0.852  0.133  1.0
  O  O29  1  0.522  0.855  0.621  1.0
  O  O30  1  0.778  0.690  0.968  1.0
  O  O31  1  0.817  0.689  0.781  1.0
  O  O32  1  0.810  0.676  0.471  1.0
  O  O33  1  0.815  0.678  0.284  1.0
  O  O34  1  0.393  0.573  0.862  1.0
  O  O35  1  0.395  0.576  0.375  1.0
  O  O36  1  0.191  0.576  0.626  1.0
  O  O37  1  0.182  0.572  0.133  1.0
  O  O38  1  0.814  0.426  0.875  1.0
  O  O39  1  0.806  0.415  0.375  1.0
  O  O40  1  0.606  0.421  0.627  1.0
  O  O41  1  0.602  0.422  0.124  1.0
  O  O42  1  0.191  0.311  0.719  1.0
  O  O43  1  0.191  0.311  0.533  1.0
  O  O44  1  0.196  0.303  0.216  1.0
  O  O45  1  0.186  0.316  0.030  1.0
  O  O46  1  0.479  0.151  0.876  1.0
  O  O47  1  0.485  0.139  0.375  1.0
  O  O48  1  0.038  0.088  0.874  1.0
  O  O49  1  0.041  0.115  0.374  1.0
  O  O50  1  0.675  0.104  0.124  1.0
  O  O51  1  0.671  0.105  0.626  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 6-coordinate geometry to one O(10), one O(24), one O(26), one O(9), and two equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(14), one O(3), one O(5), and two equivalent O(7) atoms. There are ten 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(25), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded to one O(1), one O(11), one O(13), one O(6), and one O(8) 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(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-91°. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(12), one O(13), one O(2), one O(6), and one O(9) atom. In the fourth Li site, Li(4) is bonded to one O(10), one O(12), one O(14), one O(2), and one O(5) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 66°. In the fifth Li site, Li(5) is bonded to one O(15), one O(17), one O(19), one O(23), and one O(28) 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(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Li(8)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 65-88°. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to one O(16), one O(17), one O(20), one O(24), one O(26), and one O(28) atom. In the seventh Li site, Li(7) is bonded in a 6-coordinate geometry to one O(16), one O(18), one O(21), one O(24), one O(26), and one O(27) atom. In the eighth Li site, Li(8) is bonded to one O(15), one O(18), one O(22), one O(23), and one O(27) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Li(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 87°. In the ninth Li site, Li(9) is bonded in a 5-coordinate geometry to one O(21), one O(22), one O(27), one O(3), and one O(5) atom. In the tenth Li site, Li(10) is bonded in a 5-coordinate geometry to one O(19), one O(20), one O(28), one O(4), and one O(6) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(13), one O(17), one O(4), one O(6), one O(8), and one O(9) 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(5)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one O(10), one O(14), one O(18), one O(3), one O(5), and one O(7) atom. In the third Fe site, Fe(3) is bonded to one O(11), one O(15), one O(19), one O(22), one O(23), and one O(25) 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(2)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Li(8)O5 trigonal bipyramid,  an edgeedge with one Li(5)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(12), one O(16), one O(20), one O(21), one O(24), and one O(26) 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, 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(28), one O(4), and one O(6) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(27), one O(3), and one O(5) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(2), one O(24), and one O(26) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(1), one O(23), and one O(25) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(12), one O(16), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, and corners with two equivalent Li(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 43-66°. In the second P site, P(2) 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(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Li(8)O5 trigonal bipyramid, and corners with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 48-62°. In the third P site, P(3) is bonded to one O(13), one O(17), one O(19), and one O(20) 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, and corners with two equivalent Li(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 48-64°. 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(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Li(4)O5 trigonal bipyramid, and corners with two equivalent Li(8)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 45-51°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), one Li(1), one Li(2), and one C(4) atom to form distorted ONaLi2C tetrahedra that share  a cornercorner with one O(6)Li3FeC trigonal bipyramid, corners with two equivalent O(8)Li2FeP trigonal pyramids, and  an edgeedge with one O(11)NaLiFeP tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Li(3), one Li(4), and one C(3) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Na(2), one Li(9), one Fe(2), and one C(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(10), one Fe(1), and one C(1) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one Na(2), one Li(4), one Li(9), one Fe(2), and one C(2) atom. In the sixth O site, O(6) is bonded to one Li(10), one Li(2), one Li(3), one Fe(1), and one C(1) atom to form distorted OLi3FeC trigonal bipyramids that share  a cornercorner with one O(12)Li2FeP tetrahedra,  a cornercorner with one O(17)Li2FeP tetrahedra,  a cornercorner with one O(1)NaLi2C tetrahedra,  a cornercorner with one O(11)NaLiFeP tetrahedra,  a cornercorner with one O(19)Li2FeP trigonal pyramid,  a cornercorner with one O(20)Li2FeP trigonal pyramid, corners with two equivalent O(8)Li2FeP trigonal pyramids, and  an edgeedge with one O(28)Li3C tetrahedra. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to two equivalent Na(2), one Li(1), one Fe(2), and one P(2) atom. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Fe(1), and one P(2) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(17)Li2FeP tetrahedra, corners with two equivalent O(1)NaLi2C tetrahedra, corners with two equivalent O(11)NaLiFeP tetrahedra, corners with two equivalent O(6)Li3FeC trigonal bipyramids, and  a cornercorner with one O(15)Li2FeP trigonal pyramid. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(1), one Li(3), one Fe(1), and one P(1) atom. In the tenth O site, O(10) is bonded to one Na(1), one Li(4), one Fe(2), and one P(1) atom to form distorted ONaLiFeP trigonal pyramids that share  a cornercorner with one O(18)Li2FeP tetrahedra, corners with two equivalent O(12)Li2FeP tetrahedra, and  a cornercorner with one O(24)NaLi2FeC trigonal bipyramid. In the eleventh O site, O(11) is bonded to one Na(2), one Li(2), one Fe(3), and one P(2) atom to form distorted ONaLiFeP tetrahedra that share  a cornercorner with one O(6)Li3FeC trigonal bipyramid,  a cornercorner with one O(19)Li2FeP trigonal pyramid, corners with two equivalent O(15)Li2FeP trigonal pyramids, corners with two equivalent O(8)Li2FeP trigonal pyramids, and  an edgeedge with one O(1)NaLi2C tetrahedra. In the twelfth O site, O(12) is bonded to one Li(3), one Li(4), one Fe(4), and one P(1) atom to form OLi2FeP tetrahedra that share  a cornercorner with one O(6)Li3FeC trigonal bipyramid,  a cornercorner with one O(24)NaLi2FeC trigonal bipyramid,  a cornercorner with one O(20)Li2FeP trigonal pyramid,  a cornercorner with one O(21)Li2FeP trigonal pyramid, and corners with two equivalent O(10)NaLiFeP trigonal pyramids. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Fe(1), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Li(4), one Fe(2), and one P(4) atom. In the fifteenth O site, O(15) is bonded to one Li(5), one Li(8), one Fe(3), and one P(2) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(17)Li2FeP tetrahedra,  a cornercorner with one O(18)Li2FeP tetrahedra,  a cornercorner with one O(27)Li3C tetrahedra,  a cornercorner with one O(28)Li3C tetrahedra, corners with two equivalent O(11)NaLiFeP tetrahedra,  a cornercorner with one O(8)Li2FeP trigonal pyramid, and  an edgeedge with one O(19)Li2FeP trigonal pyramid. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(6), one Li(7), one Fe(4), and one P(1) atom. In the seventeenth O site, O(17) is bonded to one Li(5), one Li(6), one Fe(1), and one P(3) atom to form OLi2FeP tetrahedra that share  a cornercorner with one O(6)Li3FeC trigonal bipyramid,  a cornercorner with one O(24)NaLi2FeC trigonal bipyramid,  a cornercorner with one O(15)Li2FeP trigonal pyramid,  a cornercorner with one O(8)Li2FeP trigonal pyramid, corners with two equivalent O(19)Li2FeP trigonal pyramids, corners with two equivalent O(20)Li2FeP trigonal pyramids, and  an edgeedge with one O(28)Li3C tetrahedra. In the eighteenth O site, O(18) is bonded to one Li(7), one Li(8), one Fe(2), and one P(4) atom to form OLi2FeP tetrahedra that share  a cornercorner with one O(24)NaLi2FeC trigonal bipyramid,  a cornercorner with one O(15)Li2FeP trigonal pyramid,  a cornercorner with one O(10)NaLiFeP trigonal pyramid, corners with two equivalent O(21)Li2FeP trigonal pyramids, and  an edgeedge with one O(27)Li3C tetrahedra. In the nineteenth O site, O(19) is bonded to one Li(10), one Li(5), one Fe(3), and one P(3) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(11)NaLiFeP tetrahedra, corners with two equivalent O(17)Li2FeP tetrahedra, corners with two equivalent O(28)Li3C tetrahedra,  a cornercorner with one O(6)Li3FeC trigonal bipyramid,  an edgeedge with one O(15)Li2FeP trigonal pyramid, and  an edgeedge with one O(20)Li2FeP trigonal pyramid. In the twentieth O site, O(20) is bonded to one Li(10), one Li(6), one Fe(4), and one P(3) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(12)Li2FeP tetrahedra, corners with two equivalent O(17)Li2FeP tetrahedra, corners with two equivalent O(28)Li3C tetrahedra,  a cornercorner with one O(6)Li3FeC trigonal bipyramid, corners with two equivalent O(24)NaLi2FeC trigonal bipyramids,  a cornercorner with one O(21)Li2FeP trigonal pyramid, and  an edgeedge with one O(19)Li2FeP trigonal pyramid. In the twenty-first O site, O(21) is bonded to one Li(7), one Li(9), one Fe(4), and one P(4) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(12)Li2FeP tetrahedra, corners with two equivalent O(18)Li2FeP tetrahedra, corners with two equivalent O(27)Li3C tetrahedra, corners with two equivalent O(24)NaLi2FeC trigonal bipyramids, and  a cornercorner with one O(20)Li2FeP trigonal pyramid. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Li(8), one Li(9), one Fe(3), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a 5-coordinate geometry to one Li(1), one Li(5), one Li(8), one Fe(3), and one C(4) atom. In the twenty-fourth O site, O(24) is bonded to one Na(1), one Li(6), one Li(7), one Fe(4), and one C(3) atom to form distorted ONaLi2FeC trigonal bipyramids that share  a cornercorner with one O(12)Li2FeP tetrahedra,  a cornercorner with one O(17)Li2FeP tetrahedra,  a cornercorner with one O(18)Li2FeP tetrahedra,  a cornercorner with one O(27)Li3C tetrahedra,  a cornercorner with one O(28)Li3C tetrahedra,  a cornercorner with one O(10)NaLiFeP trigonal pyramid, corners with two equivalent O(20)Li2FeP trigonal pyramids, and corners with two equivalent O(21)Li2FeP trigonal pyramids. In the twenty-fifth O site, O(25) is bonded in a 2-coordinate geometry to one Li(1), one Fe(3), and one C(4) atom. In the twenty-sixth O site, O(26) is bonded in a 1-coordinate geometry to one Na(1), one Li(6), one Li(7), one Fe(4), and one C(3) atom. In the twenty-seventh O site, O(27) is bonded to one Li(7), one Li(8), one Li(9), and one C(2) atom to form distorted OLi3C tetrahedra that share  a cornercorner with one O(24)NaLi2FeC trigonal bipyramid,  a cornercorner with one O(15)Li2FeP trigonal pyramid, corners with two equivalent O(21)Li2FeP trigonal pyramids, and  an edgeedge with one O(18)Li2FeP tetrahedra. In the twenty-eighth O site, O(28) is bonded to one Li(10), one Li(5), one Li(6), and one C(1) atom to form distorted OLi3C tetrahedra that share  a cornercorner with one O(24)NaLi2FeC trigonal bipyramid,  a cornercorner with one O(15)Li2FeP trigonal pyramid, corners with two equivalent O(19)Li2FeP trigonal pyramids, corners with two equivalent O(20)Li2FeP trigonal pyramids,  an edgeedge with one O(17)Li2FeP tetrahedra, and  an edgeedge with one O(6)Li3FeC trigonal bipyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLi5Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.019
_cell_length_b   8.624
_cell_length_c   13.090
_cell_angle_alpha   90.496
_cell_angle_beta   90.001
_cell_angle_gamma   92.541
_symmetry_Int_Tables_number   1
_cell_volume   565.958
_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  0.754  0.914  0.377  1.0
  Na  Na1  1  0.248  0.746  0.999  1.0
  Li  Li2  1  0.752  0.916  0.868  1.0
  Li  Li3  1  0.240  0.730  0.755  1.0
  Li  Li4  1  0.238  0.734  0.498  1.0
  Li  Li5  1  0.227  0.728  0.261  1.0
  Li  Li6  1  0.762  0.269  0.741  1.0
  Li  Li7  1  0.771  0.270  0.510  1.0
  Li  Li8  1  0.771  0.265  0.244  1.0
  Li  Li9  1  0.757  0.266  0.004  1.0
  Li  Li10  1  0.251  0.092  0.130  1.0
  Li  Li11  1  0.249  0.085  0.625  1.0
  Fe  Fe12  1  0.787  0.652  0.626  1.0
  Fe  Fe13  1  0.774  0.647  0.126  1.0
  Fe  Fe14  1  0.212  0.347  0.874  1.0
  Fe  Fe15  1  0.224  0.350  0.375  1.0
  P  P16  1  0.708  0.583  0.376  1.0
  P  P17  1  0.702  0.590  0.872  1.0
  P  P18  1  0.294  0.409  0.626  1.0
  P  P19  1  0.290  0.408  0.126  1.0
  C  C20  1  0.720  0.957  0.623  1.0
  C  C21  1  0.733  0.958  0.128  1.0
  C  C22  1  0.270  0.049  0.375  1.0
  C  C23  1  0.284  0.046  0.870  1.0
  O  O24  1  0.339  0.901  0.859  1.0
  O  O25  1  0.281  0.899  0.377  1.0
  O  O26  1  0.977  0.916  0.127  1.0
  O  O27  1  0.963  0.912  0.623  1.0
  O  O28  1  0.540  0.852  0.133  1.0
  O  O29  1  0.522  0.855  0.621  1.0
  O  O30  1  0.778  0.690  0.968  1.0
  O  O31  1  0.817  0.689  0.781  1.0
  O  O32  1  0.810  0.676  0.471  1.0
  O  O33  1  0.815  0.678  0.284  1.0
  O  O34  1  0.393  0.573  0.862  1.0
  O  O35  1  0.395  0.576  0.375  1.0
  O  O36  1  0.191  0.576  0.626  1.0
  O  O37  1  0.182  0.572  0.133  1.0
  O  O38  1  0.814  0.426  0.875  1.0
  O  O39  1  0.806  0.415  0.375  1.0
  O  O40  1  0.606  0.421  0.627  1.0
  O  O41  1  0.602  0.422  0.124  1.0
  O  O42  1  0.191  0.311  0.719  1.0
  O  O43  1  0.191  0.311  0.533  1.0
  O  O44  1  0.196  0.303  0.216  1.0
  O  O45  1  0.186  0.316  0.030  1.0
  O  O46  1  0.479  0.151  0.876  1.0
  O  O47  1  0.485  0.139  0.375  1.0
  O  O48  1  0.038  0.088  0.874  1.0
  O  O49  1  0.041  0.115  0.374  1.0
  O  O50  1  0.675  0.104  0.124  1.0
  O  O51  1  0.671  0.105  0.626  1.0
[/CIF]
.