The compound 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(3), one O(6), 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(4), one O(5), 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(11), one O(12), one O(4), one O(5), 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(1), one O(10), one O(11), one O(12), one O(4), one O(5), and one O(8) 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 5-coordinate geometry to one O(13), one O(14), one O(2), one O(6), and one O(7) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(13), 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(11), one O(12), 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(2), 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(1), 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(14), 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 43-59°. In the second P site, P(2) is bonded to one O(10), one O(12), one O(13), 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 45-59°. 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 Na(4), and one C(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(5), one Li(1), and one C(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Na(1), one Na(5), one Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Na(4), one Fe(2), and one C(2) atom. In the fifth O site, O(5) is bonded to one Na(2), one Na(3), one Na(4), one Fe(1), and one C(1) atom to form distorted ONa3FeC trigonal bipyramids that share  a cornercorner with one O(13)NaLiFeP tetrahedra and corners with two equivalent O(11)Na2FeP tetrahedra. In the sixth O site, O(6) is bonded to one Na(1), one Na(5), one Li(1), one Fe(2), and one C(2) atom to form distorted ONa2LiFeC trigonal bipyramids that share  a cornercorner with one O(11)Na2FeP tetrahedra and corners with two equivalent O(13)NaLiFeP tetrahedra. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Li(1), 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(4), 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(3), 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 Na(5), one Fe(2), and one P(2) atom. In the eleventh O site, O(11) is bonded to one Na(3), one Na(4), one Fe(2), and one P(1) atom to form distorted ONa2FeP tetrahedra that share  a cornercorner with one O(6)Na2LiFeC trigonal bipyramid and corners with two equivalent O(5)Na3FeC trigonal bipyramids. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Na(3), one Na(4), one Fe(2), and one P(2) atom. In the thirteenth O site, O(13) is bonded to one Na(5), one Li(1), one Fe(1), and one P(2) atom to form distorted ONaLiFeP tetrahedra that share  a cornercorner with one O(5)Na3FeC trigonal bipyramid and corners with two equivalent O(6)Na2LiFeC trigonal bipyramids. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Na(5), one Li(1), one Fe(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Na5LiFe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.597
_cell_length_b   8.999
_cell_length_c   10.399
_cell_angle_alpha   90.988
_cell_angle_beta   90.179
_cell_angle_gamma   90.699
_symmetry_Int_Tables_number   1
_cell_volume   617.245
_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  0.917  0.881  1.0
  Na  Na1  1  0.248  0.917  0.379  1.0
  Na  Na2  1  0.001  0.740  0.625  1.0
  Na  Na3  1  0.500  0.739  0.624  1.0
  Na  Na4  1  0.498  0.740  0.125  1.0
  Na  Na5  1  0.502  0.260  0.875  1.0
  Na  Na6  1  0.500  0.261  0.376  1.0
  Na  Na7  1  0.999  0.260  0.375  1.0
  Na  Na8  1  0.752  0.083  0.621  1.0
  Na  Na9  1  0.754  0.083  0.119  1.0
  Li  Li10  1  0.004  0.731  0.123  1.0
  Li  Li11  1  0.996  0.269  0.877  1.0
  Fe  Fe12  1  0.752  0.645  0.894  1.0
  Fe  Fe13  1  0.751  0.645  0.391  1.0
  Fe  Fe14  1  0.249  0.355  0.609  1.0
  Fe  Fe15  1  0.248  0.355  0.106  1.0
  P  P16  1  0.246  0.584  0.851  1.0
  P  P17  1  0.247  0.588  0.349  1.0
  P  P18  1  0.753  0.412  0.651  1.0
  P  P19  1  0.754  0.416  0.149  1.0
  C  C20  1  0.756  0.944  0.867  1.0
  C  C21  1  0.752  0.939  0.365  1.0
  C  C22  1  0.248  0.061  0.635  1.0
  C  C23  1  0.244  0.056  0.133  1.0
  O  O24  1  0.252  0.917  0.643  1.0
  O  O25  1  0.233  0.912  0.140  1.0
  O  O26  1  0.751  0.879  0.978  1.0
  O  O27  1  0.751  0.877  0.477  1.0
  O  O28  1  0.751  0.862  0.762  1.0
  O  O29  1  0.757  0.856  0.261  1.0
  O  O30  1  0.064  0.681  0.895  1.0
  O  O31  1  0.439  0.674  0.894  1.0
  O  O32  1  0.062  0.682  0.394  1.0
  O  O33  1  0.439  0.682  0.388  1.0
  O  O34  1  0.247  0.567  0.702  1.0
  O  O35  1  0.750  0.566  0.588  1.0
  O  O36  1  0.238  0.571  0.199  1.0
  O  O37  1  0.765  0.573  0.089  1.0
  O  O38  1  0.235  0.427  0.911  1.0
  O  O39  1  0.762  0.429  0.801  1.0
  O  O40  1  0.250  0.434  0.412  1.0
  O  O41  1  0.753  0.433  0.298  1.0
  O  O42  1  0.561  0.318  0.612  1.0
  O  O43  1  0.938  0.318  0.606  1.0
  O  O44  1  0.561  0.326  0.106  1.0
  O  O45  1  0.936  0.319  0.105  1.0
  O  O46  1  0.243  0.144  0.739  1.0
  O  O47  1  0.249  0.138  0.238  1.0
  O  O48  1  0.249  0.123  0.523  1.0
  O  O49  1  0.249  0.121  0.022  1.0
  O  O50  1  0.767  0.088  0.860  1.0
  O  O51  1  0.748  0.083  0.357  1.0
[/CIF]
.
The compound 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(3), one O(6), 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(4), one O(5), 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(11), one O(12), one O(4), one O(5), 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(1), one O(10), one O(11), one O(12), one O(4), one O(5), and one O(8) 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 5-coordinate geometry to one O(13), one O(14), one O(2), one O(6), and one O(7) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(13), 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(11), one O(12), 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(2), 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(1), 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(14), 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 43-59°. In the second P site, P(2) is bonded to one O(10), one O(12), one O(13), 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 45-59°. 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 Na(4), and one C(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(5), one Li(1), and one C(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Na(1), one Na(5), one Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Na(4), one Fe(2), and one C(2) atom. In the fifth O site, O(5) is bonded to one Na(2), one Na(3), one Na(4), one Fe(1), and one C(1) atom to form distorted ONa3FeC trigonal bipyramids that share  a cornercorner with one O(13)NaLiFeP tetrahedra and corners with two equivalent O(11)Na2FeP tetrahedra. In the sixth O site, O(6) is bonded to one Na(1), one Na(5), one Li(1), one Fe(2), and one C(2) atom to form distorted ONa2LiFeC trigonal bipyramids that share  a cornercorner with one O(11)Na2FeP tetrahedra and corners with two equivalent O(13)NaLiFeP tetrahedra. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Li(1), 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(4), 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(3), 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 Na(5), one Fe(2), and one P(2) atom. In the eleventh O site, O(11) is bonded to one Na(3), one Na(4), one Fe(2), and one P(1) atom to form distorted ONa2FeP tetrahedra that share  a cornercorner with one O(6)Na2LiFeC trigonal bipyramid and corners with two equivalent O(5)Na3FeC trigonal bipyramids. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Na(3), one Na(4), one Fe(2), and one P(2) atom. In the thirteenth O site, O(13) is bonded to one Na(5), one Li(1), one Fe(1), and one P(2) atom to form distorted ONaLiFeP tetrahedra that share  a cornercorner with one O(5)Na3FeC trigonal bipyramid and corners with two equivalent O(6)Na2LiFeC trigonal bipyramids. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Na(5), one Li(1), one Fe(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Na5LiFe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.597
_cell_length_b   8.999
_cell_length_c   10.399
_cell_angle_alpha   90.988
_cell_angle_beta   90.179
_cell_angle_gamma   90.699
_symmetry_Int_Tables_number   1
_cell_volume   617.245
_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  0.917  0.881  1.0
  Na  Na1  1  0.248  0.917  0.379  1.0
  Na  Na2  1  0.001  0.740  0.625  1.0
  Na  Na3  1  0.500  0.739  0.624  1.0
  Na  Na4  1  0.498  0.740  0.125  1.0
  Na  Na5  1  0.502  0.260  0.875  1.0
  Na  Na6  1  0.500  0.261  0.376  1.0
  Na  Na7  1  0.999  0.260  0.375  1.0
  Na  Na8  1  0.752  0.083  0.621  1.0
  Na  Na9  1  0.754  0.083  0.119  1.0
  Li  Li10  1  0.004  0.731  0.123  1.0
  Li  Li11  1  0.996  0.269  0.877  1.0
  Fe  Fe12  1  0.752  0.645  0.894  1.0
  Fe  Fe13  1  0.751  0.645  0.391  1.0
  Fe  Fe14  1  0.249  0.355  0.609  1.0
  Fe  Fe15  1  0.248  0.355  0.106  1.0
  P  P16  1  0.246  0.584  0.851  1.0
  P  P17  1  0.247  0.588  0.349  1.0
  P  P18  1  0.753  0.412  0.651  1.0
  P  P19  1  0.754  0.416  0.149  1.0
  C  C20  1  0.756  0.944  0.867  1.0
  C  C21  1  0.752  0.939  0.365  1.0
  C  C22  1  0.248  0.061  0.635  1.0
  C  C23  1  0.244  0.056  0.133  1.0
  O  O24  1  0.252  0.917  0.643  1.0
  O  O25  1  0.233  0.912  0.140  1.0
  O  O26  1  0.751  0.879  0.978  1.0
  O  O27  1  0.751  0.877  0.477  1.0
  O  O28  1  0.751  0.862  0.762  1.0
  O  O29  1  0.757  0.856  0.261  1.0
  O  O30  1  0.064  0.681  0.895  1.0
  O  O31  1  0.439  0.674  0.894  1.0
  O  O32  1  0.062  0.682  0.394  1.0
  O  O33  1  0.439  0.682  0.388  1.0
  O  O34  1  0.247  0.567  0.702  1.0
  O  O35  1  0.750  0.566  0.588  1.0
  O  O36  1  0.238  0.571  0.199  1.0
  O  O37  1  0.765  0.573  0.089  1.0
  O  O38  1  0.235  0.427  0.911  1.0
  O  O39  1  0.762  0.429  0.801  1.0
  O  O40  1  0.250  0.434  0.412  1.0
  O  O41  1  0.753  0.433  0.298  1.0
  O  O42  1  0.561  0.318  0.612  1.0
  O  O43  1  0.938  0.318  0.606  1.0
  O  O44  1  0.561  0.326  0.106  1.0
  O  O45  1  0.936  0.319  0.105  1.0
  O  O46  1  0.243  0.144  0.739  1.0
  O  O47  1  0.249  0.138  0.238  1.0
  O  O48  1  0.249  0.123  0.523  1.0
  O  O49  1  0.249  0.121  0.022  1.0
  O  O50  1  0.767  0.088  0.860  1.0
  O  O51  1  0.748  0.083  0.357  1.0
[/CIF]
.