The material structure described by Na2FeCPO7 crystallizes in the triclinic P1 space group. There are eight 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(8), 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(24), one O(25), and one O(7) atom. In the third Na site, Na(3) is bonded to one O(10), one O(11), one O(13), one O(2), one O(4), one O(5), and one O(8) atom to form distorted NaO7 pentagonal bipyramids that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Na(4)O7 pentagonal bipyramid,  an edgeedge with one P(2)O4 tetrahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 65°. In the fourth Na site, Na(4) is bonded to one O(12), one O(13), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form distorted NaO7 pentagonal bipyramids that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Na(3)O7 pentagonal bipyramid,  an edgeedge with one P(2)O4 tetrahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 62°. In the fifth Na site, Na(5) is bonded in a 7-coordinate geometry to one O(15), one O(17), one O(20), one O(22), one O(23), one O(26), and one O(27) atom. In the sixth Na site, Na(6) is bonded in a 7-coordinate geometry to one O(16), one O(18), one O(20), one O(22), one O(24), one O(25), and one O(28) atom. In the seventh Na site, Na(7) is bonded in a 6-coordinate geometry to one O(20), one O(21), one O(27), one O(28), one O(3), and one O(6) atom. In the eighth Na site, Na(8) is bonded in a 6-coordinate geometry to one O(19), one O(22), one O(27), one O(28), one O(4), and one O(5) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(12), one O(16), one O(3), one O(5), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge 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(15), one O(4), one O(6), one O(7), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Na(4)O7 pentagonal bipyramid, and  a faceface with one Na(3)O7 pentagonal bipyramid. In the third Fe site, Fe(3) is bonded to one O(13), one O(18), one O(21), one O(22), one O(23), and one O(25) atom to form FeO6 octahedra that share  a cornercorner with one Na(3)O7 pentagonal bipyramid,  a cornercorner with one Na(4)O7 pentagonal bipyramid,  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  a cornercorner with one P(4)O4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one O(14), one O(17), one O(19), one O(20), 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,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. 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(14), one O(18), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Na(3)O7 pentagonal bipyramid, and  a cornercorner with one Na(4)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 33-45°. In the second P site, P(2) is bonded to one O(10), one O(13), one O(17), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  an edgeedge with one Na(3)O7 pentagonal bipyramid, and  an edgeedge with one Na(4)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 34-45°. In the third P site, P(3) is bonded to one O(11), one O(16), one O(20), and one O(21) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, and  a cornercorner with one Na(3)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 34-44°. In the fourth P site, P(4) is bonded to one O(12), one O(15), one O(19), 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,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, and  a cornercorner with one Na(4)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 34-43°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Na(1), one Na(2), and one C(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Na(4), and one C(4) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Na(4), one Na(7), one Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Na(3), one Na(8), one Fe(2), and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Na(3), one Na(8), one Fe(1), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Na(4), one Na(7), one Fe(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(2), one Na(4), one Fe(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Fe(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(1), one Na(4), one Fe(1), 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(3), one Fe(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Na(4), one Fe(1), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Na(3), one Na(4), one Fe(3), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Fe(4) and one P(1) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Na(5), one Fe(2), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Na(6), one Fe(1), and one P(3) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Na(5), one Fe(4), and one P(2) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Na(6), one Fe(3), and one P(1) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Na(8), one Fe(4), and one P(4) atom. In the twentieth O site, O(20) is bonded in a 5-coordinate geometry to one Na(5), one Na(6), one Na(7), one Fe(4), and one P(3) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Na(7), one Fe(3), and one P(3) atom. In the twenty-second O site, O(22) is bonded in a 5-coordinate geometry to one Na(5), one Na(6), one Na(8), one Fe(3), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(5), one Fe(3), and one C(3) atom. In the twenty-fourth O site, O(24) is bonded in a 1-coordinate geometry to one Na(2), one Na(6), one Fe(4), and one C(4) atom. In the twenty-fifth O site, O(25) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Na(6), one Fe(3), and one C(3) atom. In the twenty-sixth O site, O(26) is bonded in a 4-coordinate geometry to one Na(1), one Na(5), one Fe(4), and one C(4) atom. In the twenty-seventh O site, O(27) is bonded in a 4-coordinate geometry to one Na(5), one Na(7), one Na(8), and one C(1) atom. In the twenty-eighth O site, O(28) is bonded in a 4-coordinate geometry to one Na(6), one Na(7), one Na(8), and one C(2) atom. is represented by the CIF file [CIF]
data_Na2FePCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.342
_cell_length_b   8.387
_cell_length_c   8.413
_cell_angle_alpha   77.442
_cell_angle_beta   71.006
_cell_angle_gamma   107.740
_symmetry_Int_Tables_number   1
_cell_volume   615.230
_cell_formula_units_Z   4
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  0.919  0.722  0.540  1.0
  Na  Na1  1  0.910  0.183  0.076  1.0
  Na  Na2  1  0.743  0.494  0.007  1.0
  Na  Na3  1  0.743  0.243  0.754  1.0
  Na  Na4  1  0.263  0.751  0.239  1.0
  Na  Na5  1  0.263  0.253  0.738  1.0
  Na  Na6  1  0.080  0.280  0.438  1.0
  Na  Na7  1  0.083  0.795  0.949  1.0
  Fe  Fe8  1  0.654  0.310  0.439  1.0
  Fe  Fe9  1  0.654  0.811  0.939  1.0
  Fe  Fe10  1  0.342  0.196  0.069  1.0
  Fe  Fe11  1  0.348  0.697  0.565  1.0
  P  P12  1  0.575  0.554  0.695  1.0
  P  P13  1  0.576  0.061  0.188  1.0
  P  P14  1  0.424  0.446  0.310  1.0
  P  P15  1  0.424  0.944  0.808  1.0
  C  C16  1  0.937  0.481  0.275  1.0
  C  C17  1  0.936  0.978  0.773  1.0
  C  C18  1  0.065  0.019  0.223  1.0
  C  C19  1  0.064  0.519  0.724  1.0
  O  O20  1  0.924  0.940  0.306  1.0
  O  O21  1  0.921  0.433  0.812  1.0
  O  O22  1  0.872  0.340  0.424  1.0
  O  O23  1  0.873  0.822  0.905  1.0
  O  O24  1  0.843  0.520  0.216  1.0
  O  O25  1  0.843  0.029  0.724  1.0
  O  O26  1  0.680  0.995  0.066  1.0
  O  O27  1  0.671  0.662  0.776  1.0
  O  O28  1  0.678  0.479  0.583  1.0
  O  O29  1  0.673  0.180  0.260  1.0
  O  O30  1  0.568  0.593  0.153  1.0
  O  O31  1  0.568  0.097  0.656  1.0
  O  O32  1  0.534  0.185  0.064  1.0
  O  O33  1  0.527  0.671  0.577  1.0
  O  O34  1  0.469  0.828  0.934  1.0
  O  O35  1  0.469  0.330  0.436  1.0
  O  O36  1  0.433  0.905  0.338  1.0
  O  O37  1  0.430  0.398  0.845  1.0
  O  O38  1  0.327  0.828  0.735  1.0
  O  O39  1  0.324  0.524  0.420  1.0
  O  O40  1  0.325  0.326  0.242  1.0
  O  O41  1  0.321  0.017  0.922  1.0
  O  O42  1  0.158  0.969  0.275  1.0
  O  O43  1  0.156  0.469  0.775  1.0
  O  O44  1  0.132  0.166  0.078  1.0
  O  O45  1  0.125  0.663  0.582  1.0
  O  O46  1  0.076  0.571  0.196  1.0
  O  O47  1  0.076  0.070  0.698  1.0
[/CIF]
.
The material structure described by Na2FeCPO7 crystallizes in the triclinic P1 space group. There are eight 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(8), 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(24), one O(25), and one O(7) atom. In the third Na site, Na(3) is bonded to one O(10), one O(11), one O(13), one O(2), one O(4), one O(5), and one O(8) atom to form distorted NaO7 pentagonal bipyramids that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Na(4)O7 pentagonal bipyramid,  an edgeedge with one P(2)O4 tetrahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles are 65°. In the fourth Na site, Na(4) is bonded to one O(12), one O(13), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form distorted NaO7 pentagonal bipyramids that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Na(3)O7 pentagonal bipyramid,  an edgeedge with one P(2)O4 tetrahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 62°. In the fifth Na site, Na(5) is bonded in a 7-coordinate geometry to one O(15), one O(17), one O(20), one O(22), one O(23), one O(26), and one O(27) atom. In the sixth Na site, Na(6) is bonded in a 7-coordinate geometry to one O(16), one O(18), one O(20), one O(22), one O(24), one O(25), and one O(28) atom. In the seventh Na site, Na(7) is bonded in a 6-coordinate geometry to one O(20), one O(21), one O(27), one O(28), one O(3), and one O(6) atom. In the eighth Na site, Na(8) is bonded in a 6-coordinate geometry to one O(19), one O(22), one O(27), one O(28), one O(4), and one O(5) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(12), one O(16), one O(3), one O(5), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge 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(15), one O(4), one O(6), one O(7), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Na(4)O7 pentagonal bipyramid, and  a faceface with one Na(3)O7 pentagonal bipyramid. In the third Fe site, Fe(3) is bonded to one O(13), one O(18), one O(21), one O(22), one O(23), and one O(25) atom to form FeO6 octahedra that share  a cornercorner with one Na(3)O7 pentagonal bipyramid,  a cornercorner with one Na(4)O7 pentagonal bipyramid,  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  a cornercorner with one P(4)O4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one O(14), one O(17), one O(19), one O(20), 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,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. 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(14), one O(18), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Na(3)O7 pentagonal bipyramid, and  a cornercorner with one Na(4)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 33-45°. In the second P site, P(2) is bonded to one O(10), one O(13), one O(17), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  an edgeedge with one Na(3)O7 pentagonal bipyramid, and  an edgeedge with one Na(4)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 34-45°. In the third P site, P(3) is bonded to one O(11), one O(16), one O(20), and one O(21) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, and  a cornercorner with one Na(3)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 34-44°. In the fourth P site, P(4) is bonded to one O(12), one O(15), one O(19), 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,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, and  a cornercorner with one Na(4)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 34-43°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Na(1), one Na(2), and one C(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Na(4), and one C(4) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Na(4), one Na(7), one Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Na(3), one Na(8), one Fe(2), and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Na(3), one Na(8), one Fe(1), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Na(4), one Na(7), one Fe(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(2), one Na(4), one Fe(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Fe(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(1), one Na(4), one Fe(1), 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(3), one Fe(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Na(4), one Fe(1), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Na(3), one Na(4), one Fe(3), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Fe(4) and one P(1) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Na(5), one Fe(2), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Na(6), one Fe(1), and one P(3) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Na(5), one Fe(4), and one P(2) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Na(6), one Fe(3), and one P(1) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Na(8), one Fe(4), and one P(4) atom. In the twentieth O site, O(20) is bonded in a 5-coordinate geometry to one Na(5), one Na(6), one Na(7), one Fe(4), and one P(3) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Na(7), one Fe(3), and one P(3) atom. In the twenty-second O site, O(22) is bonded in a 5-coordinate geometry to one Na(5), one Na(6), one Na(8), one Fe(3), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(5), one Fe(3), and one C(3) atom. In the twenty-fourth O site, O(24) is bonded in a 1-coordinate geometry to one Na(2), one Na(6), one Fe(4), and one C(4) atom. In the twenty-fifth O site, O(25) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Na(6), one Fe(3), and one C(3) atom. In the twenty-sixth O site, O(26) is bonded in a 4-coordinate geometry to one Na(1), one Na(5), one Fe(4), and one C(4) atom. In the twenty-seventh O site, O(27) is bonded in a 4-coordinate geometry to one Na(5), one Na(7), one Na(8), and one C(1) atom. In the twenty-eighth O site, O(28) is bonded in a 4-coordinate geometry to one Na(6), one Na(7), one Na(8), and one C(2) atom. is represented by the CIF file [CIF]
data_Na2FePCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.342
_cell_length_b   8.387
_cell_length_c   8.413
_cell_angle_alpha   77.442
_cell_angle_beta   71.006
_cell_angle_gamma   107.740
_symmetry_Int_Tables_number   1
_cell_volume   615.230
_cell_formula_units_Z   4
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  0.919  0.722  0.540  1.0
  Na  Na1  1  0.910  0.183  0.076  1.0
  Na  Na2  1  0.743  0.494  0.007  1.0
  Na  Na3  1  0.743  0.243  0.754  1.0
  Na  Na4  1  0.263  0.751  0.239  1.0
  Na  Na5  1  0.263  0.253  0.738  1.0
  Na  Na6  1  0.080  0.280  0.438  1.0
  Na  Na7  1  0.083  0.795  0.949  1.0
  Fe  Fe8  1  0.654  0.310  0.439  1.0
  Fe  Fe9  1  0.654  0.811  0.939  1.0
  Fe  Fe10  1  0.342  0.196  0.069  1.0
  Fe  Fe11  1  0.348  0.697  0.565  1.0
  P  P12  1  0.575  0.554  0.695  1.0
  P  P13  1  0.576  0.061  0.188  1.0
  P  P14  1  0.424  0.446  0.310  1.0
  P  P15  1  0.424  0.944  0.808  1.0
  C  C16  1  0.937  0.481  0.275  1.0
  C  C17  1  0.936  0.978  0.773  1.0
  C  C18  1  0.065  0.019  0.223  1.0
  C  C19  1  0.064  0.519  0.724  1.0
  O  O20  1  0.924  0.940  0.306  1.0
  O  O21  1  0.921  0.433  0.812  1.0
  O  O22  1  0.872  0.340  0.424  1.0
  O  O23  1  0.873  0.822  0.905  1.0
  O  O24  1  0.843  0.520  0.216  1.0
  O  O25  1  0.843  0.029  0.724  1.0
  O  O26  1  0.680  0.995  0.066  1.0
  O  O27  1  0.671  0.662  0.776  1.0
  O  O28  1  0.678  0.479  0.583  1.0
  O  O29  1  0.673  0.180  0.260  1.0
  O  O30  1  0.568  0.593  0.153  1.0
  O  O31  1  0.568  0.097  0.656  1.0
  O  O32  1  0.534  0.185  0.064  1.0
  O  O33  1  0.527  0.671  0.577  1.0
  O  O34  1  0.469  0.828  0.934  1.0
  O  O35  1  0.469  0.330  0.436  1.0
  O  O36  1  0.433  0.905  0.338  1.0
  O  O37  1  0.430  0.398  0.845  1.0
  O  O38  1  0.327  0.828  0.735  1.0
  O  O39  1  0.324  0.524  0.420  1.0
  O  O40  1  0.325  0.326  0.242  1.0
  O  O41  1  0.321  0.017  0.922  1.0
  O  O42  1  0.158  0.969  0.275  1.0
  O  O43  1  0.156  0.469  0.775  1.0
  O  O44  1  0.132  0.166  0.078  1.0
  O  O45  1  0.125  0.663  0.582  1.0
  O  O46  1  0.076  0.571  0.196  1.0
  O  O47  1  0.076  0.070  0.698  1.0
[/CIF]
.