The material structure described by Na5LiFe2P2(CO7)2 crystallizes in the triclinic P-1 space group. There are five inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(6), and one O(9) atom. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(4), one O(5), and one O(8) atom. In the fourth Na site, Na(4) 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 fifth Na site, Na(5) is bonded in a 7-coordinate geometry to one O(10), one O(13), one O(14), one O(2), one O(3), one O(6), and one O(8) atom. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(4), one O(5), and one O(9) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(14), 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(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(10), one O(12), one O(13), one O(4), one O(6), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), 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(2), one O(4), and one O(6) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(12), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra and corners with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-61°. In the second P site, P(2) is bonded to one O(10), one O(13), one O(14), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra and corners with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-57°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Li(1), and one C(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(4), one Na(5), and one C(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(2), one Na(4), one Na(5), one Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Na(1), one Na(3), one Li(1), one Fe(2), and one C(2) atom. In the fifth O site, O(5) is bonded to one Na(1), one Na(3), one Li(1), one Fe(1), and one C(1) atom to form distorted corner-sharing ONa2LiFeC trigonal bipyramids. In the sixth O site, O(6) is bonded to one Na(2), one Na(4), one Na(5), one Fe(2), and one C(2) atom to form distorted corner-sharing ONa3FeC trigonal bipyramids. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(1), one Na(4), one Fe(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Na(1), one Na(3), one Na(5), 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(2), one Na(4), one Li(1), 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(3), one Na(5), one Fe(2), and one P(2) atom. In the eleventh O site, O(11) is bonded to one Na(3), one Li(1), one Fe(1), and one P(1) atom to form distorted corner-sharing ONaLiFeP tetrahedra. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Na(3), one Li(1), one Fe(2), and one P(1) atom. In the thirteenth O site, O(13) is bonded to one Na(4), one Na(5), one Fe(2), and one P(2) atom to form distorted corner-sharing ONa2FeP tetrahedra. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Na(4), one Na(5), one Fe(1), and one P(2) atom. is represented by the CIF file [CIF]
data_Na5LiFe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.603
_cell_length_b   8.988
_cell_length_c   10.384
_cell_angle_alpha   90.971
_cell_angle_beta   90.194
_cell_angle_gamma   90.562
_symmetry_Int_Tables_number   1
_cell_volume   616.106
_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  0.246  0.918  0.629  1.0
  Na  Na1  1  0.249  0.917  0.131  1.0
  Na  Na2  1  0.499  0.740  0.374  1.0
  Na  Na3  1  0.001  0.739  0.875  1.0
  Na  Na4  1  0.499  0.739  0.874  1.0
  Na  Na5  1  0.501  0.260  0.626  1.0
  Na  Na6  1  0.501  0.261  0.126  1.0
  Na  Na7  1  0.999  0.261  0.125  1.0
  Na  Na8  1  0.754  0.082  0.371  1.0
  Na  Na9  1  0.751  0.083  0.869  1.0
  Li  Li10  1  0.004  0.732  0.373  1.0
  Li  Li11  1  0.996  0.268  0.627  1.0
  Fe  Fe12  1  0.750  0.644  0.641  1.0
  Fe  Fe13  1  0.752  0.645  0.144  1.0
  Fe  Fe14  1  0.250  0.356  0.359  1.0
  Fe  Fe15  1  0.248  0.355  0.856  1.0
  P  P16  1  0.243  0.585  0.598  1.0
  P  P17  1  0.250  0.586  0.101  1.0
  P  P18  1  0.757  0.415  0.402  1.0
  P  P19  1  0.750  0.414  0.899  1.0
  C  C20  1  0.757  0.943  0.615  1.0
  C  C21  1  0.751  0.940  0.117  1.0
  C  C22  1  0.243  0.057  0.385  1.0
  C  C23  1  0.249  0.060  0.883  1.0
  O  O24  1  0.235  0.913  0.391  1.0
  O  O25  1  0.252  0.917  0.891  1.0
  O  O26  1  0.750  0.879  0.727  1.0
  O  O27  1  0.752  0.877  0.229  1.0
  O  O28  1  0.755  0.860  0.511  1.0
  O  O29  1  0.752  0.857  0.013  1.0
  O  O30  1  0.061  0.682  0.644  1.0
  O  O31  1  0.437  0.676  0.641  1.0
  O  O32  1  0.064  0.681  0.145  1.0
  O  O33  1  0.440  0.681  0.142  1.0
  O  O34  1  0.238  0.572  0.448  1.0
  O  O35  1  0.764  0.572  0.342  1.0
  O  O36  1  0.247  0.567  0.952  1.0
  O  O37  1  0.750  0.567  0.835  1.0
  O  O38  1  0.236  0.428  0.658  1.0
  O  O39  1  0.762  0.428  0.552  1.0
  O  O40  1  0.250  0.433  0.165  1.0
  O  O41  1  0.753  0.433  0.048  1.0
  O  O42  1  0.563  0.324  0.359  1.0
  O  O43  1  0.939  0.318  0.356  1.0
  O  O44  1  0.560  0.319  0.858  1.0
  O  O45  1  0.936  0.319  0.855  1.0
  O  O46  1  0.245  0.140  0.489  1.0
  O  O47  1  0.248  0.143  0.987  1.0
  O  O48  1  0.250  0.121  0.273  1.0
  O  O49  1  0.248  0.123  0.771  1.0
  O  O50  1  0.765  0.087  0.609  1.0
  O  O51  1  0.748  0.083  0.109  1.0
[/CIF]
.
The material structure described by Na5LiFe2P2(CO7)2 crystallizes in the triclinic P-1 space group. There are five inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(6), and one O(9) atom. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(4), one O(5), and one O(8) atom. In the fourth Na site, Na(4) 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 fifth Na site, Na(5) is bonded in a 7-coordinate geometry to one O(10), one O(13), one O(14), one O(2), one O(3), one O(6), and one O(8) atom. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(4), one O(5), and one O(9) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(14), 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(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(10), one O(12), one O(13), one O(4), one O(6), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), 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(2), one O(4), and one O(6) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(12), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra and corners with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-61°. In the second P site, P(2) is bonded to one O(10), one O(13), one O(14), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra and corners with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-57°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Li(1), and one C(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(4), one Na(5), and one C(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(2), one Na(4), one Na(5), one Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Na(1), one Na(3), one Li(1), one Fe(2), and one C(2) atom. In the fifth O site, O(5) is bonded to one Na(1), one Na(3), one Li(1), one Fe(1), and one C(1) atom to form distorted corner-sharing ONa2LiFeC trigonal bipyramids. In the sixth O site, O(6) is bonded to one Na(2), one Na(4), one Na(5), one Fe(2), and one C(2) atom to form distorted corner-sharing ONa3FeC trigonal bipyramids. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(1), one Na(4), one Fe(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Na(1), one Na(3), one Na(5), 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(2), one Na(4), one Li(1), 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(3), one Na(5), one Fe(2), and one P(2) atom. In the eleventh O site, O(11) is bonded to one Na(3), one Li(1), one Fe(1), and one P(1) atom to form distorted corner-sharing ONaLiFeP tetrahedra. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Na(3), one Li(1), one Fe(2), and one P(1) atom. In the thirteenth O site, O(13) is bonded to one Na(4), one Na(5), one Fe(2), and one P(2) atom to form distorted corner-sharing ONa2FeP tetrahedra. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Na(4), one Na(5), one Fe(1), and one P(2) atom. is represented by the CIF file [CIF]
data_Na5LiFe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.603
_cell_length_b   8.988
_cell_length_c   10.384
_cell_angle_alpha   90.971
_cell_angle_beta   90.194
_cell_angle_gamma   90.562
_symmetry_Int_Tables_number   1
_cell_volume   616.106
_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  0.246  0.918  0.629  1.0
  Na  Na1  1  0.249  0.917  0.131  1.0
  Na  Na2  1  0.499  0.740  0.374  1.0
  Na  Na3  1  0.001  0.739  0.875  1.0
  Na  Na4  1  0.499  0.739  0.874  1.0
  Na  Na5  1  0.501  0.260  0.626  1.0
  Na  Na6  1  0.501  0.261  0.126  1.0
  Na  Na7  1  0.999  0.261  0.125  1.0
  Na  Na8  1  0.754  0.082  0.371  1.0
  Na  Na9  1  0.751  0.083  0.869  1.0
  Li  Li10  1  0.004  0.732  0.373  1.0
  Li  Li11  1  0.996  0.268  0.627  1.0
  Fe  Fe12  1  0.750  0.644  0.641  1.0
  Fe  Fe13  1  0.752  0.645  0.144  1.0
  Fe  Fe14  1  0.250  0.356  0.359  1.0
  Fe  Fe15  1  0.248  0.355  0.856  1.0
  P  P16  1  0.243  0.585  0.598  1.0
  P  P17  1  0.250  0.586  0.101  1.0
  P  P18  1  0.757  0.415  0.402  1.0
  P  P19  1  0.750  0.414  0.899  1.0
  C  C20  1  0.757  0.943  0.615  1.0
  C  C21  1  0.751  0.940  0.117  1.0
  C  C22  1  0.243  0.057  0.385  1.0
  C  C23  1  0.249  0.060  0.883  1.0
  O  O24  1  0.235  0.913  0.391  1.0
  O  O25  1  0.252  0.917  0.891  1.0
  O  O26  1  0.750  0.879  0.727  1.0
  O  O27  1  0.752  0.877  0.229  1.0
  O  O28  1  0.755  0.860  0.511  1.0
  O  O29  1  0.752  0.857  0.013  1.0
  O  O30  1  0.061  0.682  0.644  1.0
  O  O31  1  0.437  0.676  0.641  1.0
  O  O32  1  0.064  0.681  0.145  1.0
  O  O33  1  0.440  0.681  0.142  1.0
  O  O34  1  0.238  0.572  0.448  1.0
  O  O35  1  0.764  0.572  0.342  1.0
  O  O36  1  0.247  0.567  0.952  1.0
  O  O37  1  0.750  0.567  0.835  1.0
  O  O38  1  0.236  0.428  0.658  1.0
  O  O39  1  0.762  0.428  0.552  1.0
  O  O40  1  0.250  0.433  0.165  1.0
  O  O41  1  0.753  0.433  0.048  1.0
  O  O42  1  0.563  0.324  0.359  1.0
  O  O43  1  0.939  0.318  0.356  1.0
  O  O44  1  0.560  0.319  0.858  1.0
  O  O45  1  0.936  0.319  0.855  1.0
  O  O46  1  0.245  0.140  0.489  1.0
  O  O47  1  0.248  0.143  0.987  1.0
  O  O48  1  0.250  0.121  0.273  1.0
  O  O49  1  0.248  0.123  0.771  1.0
  O  O50  1  0.765  0.087  0.609  1.0
  O  O51  1  0.748  0.083  0.109  1.0
[/CIF]
.