The material described by Na5Fe2P2(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(9) 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(8) atom. In the third Na site, Na(3) is bonded to one O(1), one O(10), one O(12), one O(13), one O(4), one O(5), and one O(9) atom to form distorted NaO7 pentagonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra,  a faceface with one Fe(1)O6 octahedra, and  a faceface with one Na(4)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 62°. In the fourth Na site, Na(4) is bonded to one O(12), one O(14), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form distorted NaO7 pentagonal bipyramids that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one P(2)O4 tetrahedra,  a faceface with one Fe(1)O6 octahedra, and  a faceface with one Na(3)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 68°. In the fifth Na site, Na(5) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(2), one O(3), one O(6), and one O(9) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(12), one O(13), one O(4), one O(6), and one O(7) atom to form distorted FeO6 octahedra that share  a cornercorner with one Na(3)O7 pentagonal bipyramid, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a faceface with one Na(3)O7 pentagonal bipyramid, and  a faceface with one Na(4)O7 pentagonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(11), one O(14), one O(3), one O(5), one O(8), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one Na(4)O7 pentagonal bipyramid, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Na(3)O7 pentagonal bipyramid, and  an edgeedge with one Na(4)O7 pentagonal bipyramid. 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(13), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Na(4)O7 pentagonal bipyramid, and  an edgeedge with one Na(3)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 36-48°. In the second P site, P(2) is bonded to one O(10), one O(12), one O(14), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Na(4)O7 pentagonal bipyramid, corners with two equivalent Na(3)O7 pentagonal bipyramids, and  an edgeedge with one Na(4)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 40-49°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Na(3), and one C(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Na(4), one Na(5), and one C(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Na(5), one Fe(2), 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(1), and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal bipyramidal geometry to one Na(2), one Na(3), one Na(4), one Fe(2), and one C(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(1), one Na(5), one Fe(1), and one C(2) atom. 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 4-coordinate geometry to one Na(2), one Na(4), one Fe(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Na(1), one Na(3), one Na(5), one Fe(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Fe(1), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Na(5), one Fe(2), and one P(1) atom. 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(1), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Na(3), one Fe(1), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Na(4), one Na(5), one Fe(2), and one P(2) atom. is represented by the CIF card [CIF]
data_Na5Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.440
_cell_length_b   8.440
_cell_length_c   9.019
_cell_angle_alpha   89.964
_cell_angle_beta   90.718
_cell_angle_gamma   103.195
_symmetry_Int_Tables_number   1
_cell_volume   625.502
_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  0.758  0.493  0.079  1.0
  Na  Na1  1  0.244  0.979  0.084  1.0
  Na  Na2  1  0.877  0.861  0.264  1.0
  Na  Na3  1  0.611  0.118  0.267  1.0
  Na  Na4  1  0.380  0.384  0.260  1.0
  Na  Na5  1  0.389  0.882  0.733  1.0
  Na  Na6  1  0.620  0.616  0.740  1.0
  Na  Na7  1  0.123  0.139  0.736  1.0
  Na  Na8  1  0.242  0.507  0.921  1.0
  Na  Na9  1  0.756  0.021  0.916  1.0
  Fe  Fe10  1  0.983  0.240  0.356  1.0
  Fe  Fe11  1  0.478  0.733  0.342  1.0
  Fe  Fe12  1  0.017  0.760  0.644  1.0
  Fe  Fe13  1  0.522  0.267  0.658  1.0
  P  P14  1  0.772  0.522  0.420  1.0
  P  P15  1  0.268  0.024  0.418  1.0
  P  P16  1  0.732  0.976  0.582  1.0
  P  P17  1  0.228  0.478  0.580  1.0
  C  C18  1  0.517  0.761  0.052  1.0
  C  C19  1  0.011  0.252  0.074  1.0
  C  C20  1  0.989  0.748  0.926  1.0
  C  C21  1  0.483  0.239  0.948  1.0
  O  O22  1  0.972  0.743  0.066  1.0
  O  O23  1  0.473  0.226  0.090  1.0
  O  O24  1  0.410  0.644  0.113  1.0
  O  O25  1  0.890  0.148  0.137  1.0
  O  O26  1  0.612  0.867  0.138  1.0
  O  O27  1  0.109  0.350  0.164  1.0
  O  O28  1  0.832  0.390  0.328  1.0
  O  O29  1  0.332  0.903  0.319  1.0
  O  O30  1  0.655  0.585  0.312  1.0
  O  O31  1  0.130  0.077  0.327  1.0
  O  O32  1  0.306  0.546  0.435  1.0
  O  O33  1  0.803  0.055  0.432  1.0
  O  O34  1  0.918  0.671  0.457  1.0
  O  O35  1  0.408  0.174  0.452  1.0
  O  O36  1  0.592  0.826  0.548  1.0
  O  O37  1  0.082  0.329  0.543  1.0
  O  O38  1  0.197  0.945  0.568  1.0
  O  O39  1  0.694  0.454  0.565  1.0
  O  O40  1  0.870  0.923  0.673  1.0
  O  O41  1  0.168  0.610  0.672  1.0
  O  O42  1  0.345  0.415  0.688  1.0
  O  O43  1  0.668  0.097  0.681  1.0
  O  O44  1  0.891  0.650  0.836  1.0
  O  O45  1  0.388  0.133  0.862  1.0
  O  O46  1  0.590  0.356  0.887  1.0
  O  O47  1  0.110  0.852  0.863  1.0
  O  O48  1  0.527  0.774  0.910  1.0
  O  O49  1  0.028  0.257  0.934  1.0
[/CIF]
.
The material described by Na5Fe2P2(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(9) 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(8) atom. In the third Na site, Na(3) is bonded to one O(1), one O(10), one O(12), one O(13), one O(4), one O(5), and one O(9) atom to form distorted NaO7 pentagonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one P(1)O4 tetrahedra,  a faceface with one Fe(1)O6 octahedra, and  a faceface with one Na(4)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 62°. In the fourth Na site, Na(4) is bonded to one O(12), one O(14), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form distorted NaO7 pentagonal bipyramids that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one P(2)O4 tetrahedra,  a faceface with one Fe(1)O6 octahedra, and  a faceface with one Na(3)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 68°. In the fifth Na site, Na(5) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(2), one O(3), one O(6), and one O(9) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(12), one O(13), one O(4), one O(6), and one O(7) atom to form distorted FeO6 octahedra that share  a cornercorner with one Na(3)O7 pentagonal bipyramid, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a faceface with one Na(3)O7 pentagonal bipyramid, and  a faceface with one Na(4)O7 pentagonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(11), one O(14), one O(3), one O(5), one O(8), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one Na(4)O7 pentagonal bipyramid, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Na(3)O7 pentagonal bipyramid, and  an edgeedge with one Na(4)O7 pentagonal bipyramid. 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(13), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Na(4)O7 pentagonal bipyramid, and  an edgeedge with one Na(3)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 36-48°. In the second P site, P(2) is bonded to one O(10), one O(12), one O(14), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Na(4)O7 pentagonal bipyramid, corners with two equivalent Na(3)O7 pentagonal bipyramids, and  an edgeedge with one Na(4)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 40-49°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Na(3), and one C(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Na(4), one Na(5), and one C(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Na(5), one Fe(2), 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(1), and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal bipyramidal geometry to one Na(2), one Na(3), one Na(4), one Fe(2), and one C(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(1), one Na(5), one Fe(1), and one C(2) atom. 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 4-coordinate geometry to one Na(2), one Na(4), one Fe(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Na(1), one Na(3), one Na(5), one Fe(2), and one P(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Fe(1), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Na(5), one Fe(2), and one P(1) atom. 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(1), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Na(3), one Fe(1), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Na(4), one Na(5), one Fe(2), and one P(2) atom. is represented by the CIF card [CIF]
data_Na5Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.440
_cell_length_b   8.440
_cell_length_c   9.019
_cell_angle_alpha   89.964
_cell_angle_beta   90.718
_cell_angle_gamma   103.195
_symmetry_Int_Tables_number   1
_cell_volume   625.502
_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  0.758  0.493  0.079  1.0
  Na  Na1  1  0.244  0.979  0.084  1.0
  Na  Na2  1  0.877  0.861  0.264  1.0
  Na  Na3  1  0.611  0.118  0.267  1.0
  Na  Na4  1  0.380  0.384  0.260  1.0
  Na  Na5  1  0.389  0.882  0.733  1.0
  Na  Na6  1  0.620  0.616  0.740  1.0
  Na  Na7  1  0.123  0.139  0.736  1.0
  Na  Na8  1  0.242  0.507  0.921  1.0
  Na  Na9  1  0.756  0.021  0.916  1.0
  Fe  Fe10  1  0.983  0.240  0.356  1.0
  Fe  Fe11  1  0.478  0.733  0.342  1.0
  Fe  Fe12  1  0.017  0.760  0.644  1.0
  Fe  Fe13  1  0.522  0.267  0.658  1.0
  P  P14  1  0.772  0.522  0.420  1.0
  P  P15  1  0.268  0.024  0.418  1.0
  P  P16  1  0.732  0.976  0.582  1.0
  P  P17  1  0.228  0.478  0.580  1.0
  C  C18  1  0.517  0.761  0.052  1.0
  C  C19  1  0.011  0.252  0.074  1.0
  C  C20  1  0.989  0.748  0.926  1.0
  C  C21  1  0.483  0.239  0.948  1.0
  O  O22  1  0.972  0.743  0.066  1.0
  O  O23  1  0.473  0.226  0.090  1.0
  O  O24  1  0.410  0.644  0.113  1.0
  O  O25  1  0.890  0.148  0.137  1.0
  O  O26  1  0.612  0.867  0.138  1.0
  O  O27  1  0.109  0.350  0.164  1.0
  O  O28  1  0.832  0.390  0.328  1.0
  O  O29  1  0.332  0.903  0.319  1.0
  O  O30  1  0.655  0.585  0.312  1.0
  O  O31  1  0.130  0.077  0.327  1.0
  O  O32  1  0.306  0.546  0.435  1.0
  O  O33  1  0.803  0.055  0.432  1.0
  O  O34  1  0.918  0.671  0.457  1.0
  O  O35  1  0.408  0.174  0.452  1.0
  O  O36  1  0.592  0.826  0.548  1.0
  O  O37  1  0.082  0.329  0.543  1.0
  O  O38  1  0.197  0.945  0.568  1.0
  O  O39  1  0.694  0.454  0.565  1.0
  O  O40  1  0.870  0.923  0.673  1.0
  O  O41  1  0.168  0.610  0.672  1.0
  O  O42  1  0.345  0.415  0.688  1.0
  O  O43  1  0.668  0.097  0.681  1.0
  O  O44  1  0.891  0.650  0.836  1.0
  O  O45  1  0.388  0.133  0.862  1.0
  O  O46  1  0.590  0.356  0.887  1.0
  O  O47  1  0.110  0.852  0.863  1.0
  O  O48  1  0.527  0.774  0.910  1.0
  O  O49  1  0.028  0.257  0.934  1.0
[/CIF]
.