The crystal structure described by Na5Fe2P2(CO7)2 crystallizes in the monoclinic Pm space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(10), and two equivalent O(12) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(2), one O(3), one O(4), and one O(5) atom. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(6), one O(7), one O(8), and one O(9) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one O(4), one O(6), and two equivalent O(11) atoms to form distorted FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(5), one O(7), one O(8), one O(9), and two equivalent O(12) atoms to form distorted FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two 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(10), one O(2), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(8), and one O(9) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-46°. In the second P site, P(2) is bonded to one O(4), one O(6), and two equivalent O(12) atoms to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-59°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Na(2) and one C(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), one Fe(1), and one C(1) atom. In the third O site, O(3) is bonded to one Na(1), two equivalent Na(2), one Fe(1), and one C(1) atom to form distorted corner-sharing ONa3FeC trigonal bipyramids. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(2), one Fe(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Na(2), one Fe(2), and one P(1) atom. In the sixth O site, O(6) is bonded to two equivalent Na(3), one Fe(1), and one P(2) atom to form distorted ONa2FeP tetrahedra that share  a cornercorner with one O(3)Na3FeC trigonal bipyramid and corners with two equivalent O(8)Na2FeC trigonal pyramids. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to two equivalent Na(3), one Fe(2), and one P(1) atom. In the eighth O site, O(8) is bonded to two equivalent Na(3), one Fe(2), and one C(2) atom to form distorted corner-sharing ONa2FeC trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(3), one Fe(2), and one C(2) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Na(3), and one C(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Na(2), one Fe(1), and one P(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Fe(2), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na5Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.243
_cell_length_b   6.645
_cell_length_c   9.031
_cell_angle_alpha   89.997
_cell_angle_beta   90.831
_cell_angle_gamma   89.996
_symmetry_Int_Tables_number   1
_cell_volume   314.632
_cell_formula_units_Z   1
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
  C  C0  1  0.726  0.250  0.936  1.0
  C  C1  1  0.266  0.750  0.075  1.0
  Fe  Fe2  1  0.780  0.250  0.644  1.0
  Fe  Fe3  1  0.215  0.750  0.353  1.0
  Na  Na4  1  0.237  0.250  0.077  1.0
  Na  Na5  1  0.243  0.995  0.753  1.0
  Na  Na6  1  0.243  0.505  0.753  1.0
  Na  Na7  1  0.752  0.497  0.250  1.0
  Na  Na8  1  0.752  0.003  0.250  1.0
  O  O9  1  0.295  0.750  0.937  1.0
  O  O10  1  0.949  0.250  0.874  1.0
  O  O11  1  0.522  0.250  0.853  1.0
  O  O12  1  0.173  0.250  0.570  1.0
  O  O13  1  0.420  0.750  0.539  1.0
  O  O14  1  0.593  0.250  0.430  1.0
  O  O15  1  0.856  0.750  0.425  1.0
  O  O16  1  0.459  0.750  0.172  1.0
  O  O17  1  0.043  0.750  0.140  1.0
  O  O18  1  0.708  0.250  0.079  1.0
  O  O19  1  0.783  0.940  0.666  1.0
  O  O20  1  0.783  0.560  0.666  1.0
  O  O21  1  0.211  0.438  0.322  1.0
  O  O22  1  0.211  0.062  0.322  1.0
  P  P23  1  0.716  0.750  0.577  1.0
  P  P24  1  0.297  0.250  0.417  1.0
[/CIF]
.
The crystal structure described by Na5Fe2P2(CO7)2 crystallizes in the monoclinic Pm space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(10), and two equivalent O(12) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(2), one O(3), one O(4), and one O(5) atom. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(6), one O(7), one O(8), and one O(9) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one O(4), one O(6), and two equivalent O(11) atoms to form distorted FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(5), one O(7), one O(8), one O(9), and two equivalent O(12) atoms to form distorted FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two 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(10), one O(2), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(8), and one O(9) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-46°. In the second P site, P(2) is bonded to one O(4), one O(6), and two equivalent O(12) atoms to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-59°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Na(2) and one C(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), one Fe(1), and one C(1) atom. In the third O site, O(3) is bonded to one Na(1), two equivalent Na(2), one Fe(1), and one C(1) atom to form distorted corner-sharing ONa3FeC trigonal bipyramids. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(2), one Fe(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Na(2), one Fe(2), and one P(1) atom. In the sixth O site, O(6) is bonded to two equivalent Na(3), one Fe(1), and one P(2) atom to form distorted ONa2FeP tetrahedra that share  a cornercorner with one O(3)Na3FeC trigonal bipyramid and corners with two equivalent O(8)Na2FeC trigonal pyramids. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to two equivalent Na(3), one Fe(2), and one P(1) atom. In the eighth O site, O(8) is bonded to two equivalent Na(3), one Fe(2), and one C(2) atom to form distorted corner-sharing ONa2FeC trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(3), one Fe(2), and one C(2) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Na(3), and one C(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Na(2), one Fe(1), and one P(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Fe(2), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na5Fe2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.243
_cell_length_b   6.645
_cell_length_c   9.031
_cell_angle_alpha   89.997
_cell_angle_beta   90.831
_cell_angle_gamma   89.996
_symmetry_Int_Tables_number   1
_cell_volume   314.632
_cell_formula_units_Z   1
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
  C  C0  1  0.726  0.250  0.936  1.0
  C  C1  1  0.266  0.750  0.075  1.0
  Fe  Fe2  1  0.780  0.250  0.644  1.0
  Fe  Fe3  1  0.215  0.750  0.353  1.0
  Na  Na4  1  0.237  0.250  0.077  1.0
  Na  Na5  1  0.243  0.995  0.753  1.0
  Na  Na6  1  0.243  0.505  0.753  1.0
  Na  Na7  1  0.752  0.497  0.250  1.0
  Na  Na8  1  0.752  0.003  0.250  1.0
  O  O9  1  0.295  0.750  0.937  1.0
  O  O10  1  0.949  0.250  0.874  1.0
  O  O11  1  0.522  0.250  0.853  1.0
  O  O12  1  0.173  0.250  0.570  1.0
  O  O13  1  0.420  0.750  0.539  1.0
  O  O14  1  0.593  0.250  0.430  1.0
  O  O15  1  0.856  0.750  0.425  1.0
  O  O16  1  0.459  0.750  0.172  1.0
  O  O17  1  0.043  0.750  0.140  1.0
  O  O18  1  0.708  0.250  0.079  1.0
  O  O19  1  0.783  0.940  0.666  1.0
  O  O20  1  0.783  0.560  0.666  1.0
  O  O21  1  0.211  0.438  0.322  1.0
  O  O22  1  0.211  0.062  0.322  1.0
  P  P23  1  0.716  0.750  0.577  1.0
  P  P24  1  0.297  0.250  0.417  1.0
[/CIF]
.